General Information of Drug (ID: DM1CG0J)

Drug Name
GGTI-298 Drug Info
Synonyms
GGTI298; GGTI-298; Ggti 298; 180977-44-0; CHEMBL282748; N-4-[2(R)-Amino-3-mercaptopropyl]amino-2-naphthylbenzoyl-(L)-Leucine methyl ester, TFA; (S)-methyl 2-(4-((R)-2-amino-3-mercaptopropylamino)-2-(naphthalen-1-yl)benzamido)-4-methylpentanoate; SCHEMBL4283635; CHEBI:124997; EX-A2390; ZINC1488051; BCP24854; BDBM50076138; AKOS032945065; CS-6098; NCGC00165800-01; HY-100876; BRD-K19669037-019-01-3; 2-[4-((R)-2-Amino-3-mercapto-propylamino)-2-naphthalen-1-yl-benzoylamino]-4-methyl-pentanoic acid (S)-methyl ester
Cross-matching ID
PubChem CID
9811606
ChEBI ID
CHEBI:124997
CAS Number
CAS 180977-44-0
TTD Drug ID
DM1CG0J

Molecule-Related Drug Atlas

Molecule-Related Drug Atlas
Molecule Type:
DTT
DOT
Drug Status:
Clinical Trial Drug(s)
Discontinued Drug(s)
Investigative Drug(s)
Approved Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
L-778123 DMWSC5L Lymphoma 2A80-2A86 Phase 1 [5]
L-745631 DM4UP7R Solid tumour/cancer 2A00-2F9Z Terminated [6]
PD-83176 DMSIMKZ Discovery agent N.A. Investigative [7]
A-313326 DML4P6O Discovery agent N.A. Investigative [8]
J-109,390 DM9SFGB Discovery agent N.A. Investigative [9]
L-269,289 DMV6018 Discovery agent N.A. Investigative [9]
⏷ Show the Full List of 6 Drug(s)
Drug(s) Affected By C-C motif chemokine 2 (CCL2)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Indinavir DM0T3YH Human immunodeficiency virus infection 1C62 Approved [10]
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [11]
Gefitinib DM15F0X Colon adenocarcinoma Approved [12]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [13]
Imiquimod DM1TMA3 Alopecia areata ED70.2 Approved [14]
Methimazole DM25FL8 Hyperthyroidism 5A02 Approved [15]
TECFIDERA DM2OVDT Multiple sclerosis 8A40 Approved [16]
Methotrexate DM2TEOL Anterior urethra cancer Approved [17]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [18]
Quercetin DM3NC4M Obesity 5B81 Approved [19]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Tissue factor (F3)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [20]
Primidone DM0WX6I Epilepsy 8A60-8A68 Approved [21]
Methotrexate DM2TEOL Anterior urethra cancer Approved [22]
Dactinomycin DM2YGNW Adult kidney Wilms tumor Approved [23]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [24]
Quercetin DM3NC4M Obesity 5B81 Approved [25]
Fructose DM43AN2 Vomiting MD90 Approved [26]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [27]
Crizotinib DM4F29C Non-small-cell lung cancer 2C25.Y Approved [21]
Cyclophosphamide DM4O2Z7 Advanced cancer 2A00-2F9Z Approved [28]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Krueppel-like factor 2 (KLF2)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Methotrexate DM2TEOL Anterior urethra cancer Approved [17]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [29]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [30]
Hydroquinone DM6AVR4 Melasma ED60.1 Approved [31]
Marinol DM70IK5 Anorexia nervosa cachexia 6B80 Approved [32]
Ciclosporin DMAZJFX Graft-versus-host disease 4B24 Approved [33]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [34]
Cupric Sulfate DMP0NFQ Fungal infection 1F29-1F2F Approved [35]
Decitabine DMQL8XJ Acute myelogenous leukaemia 2A41 Approved [36]
Cisplatin DMRHGI9 Adenocarcinoma 2D40 Approved [37]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [38]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [39]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [40]
Quercetin DM3NC4M Obesity 5B81 Approved [41]
Rofecoxib DM3P5DA Osteoarthritis FA00-FA05 Approved [42]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [43]
Isotretinoin DM4QTBN Acne vulgaris ED80 Approved [44]
Acetic Acid, Glacial DM4SJ5Y infection in the ear canal AA0Y Approved [45]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [46]
Hydroquinone DM6AVR4 Melasma ED60.1 Approved [47]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [48]
Selenium DM25CGV N. A. N. A. Approved [49]
Methotrexate DM2TEOL Anterior urethra cancer Approved [50]
Lapatinib DM3BH1Y Breast cancer 2C60-2C65 Approved [51]
Epinephrine DM3KJBC Acute asthma CA23 Approved [52]
Quercetin DM3NC4M Obesity 5B81 Approved [53]
Rofecoxib DM3P5DA Osteoarthritis FA00-FA05 Approved [42]
obeticholic acid DM3Q1SM Primary biliary cholangitis DB96.1 Approved [54]
Troglitazone DM3VFPD Diabetic complication 5A2Y Approved [55]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [56]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Doxorubicin DMVP5YE Acute myelogenous leukaemia 2A41 Approved [57]
Indomethacin DMSC4A7 Bursitis Approved [58]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [59]
Nitric Oxide DM1RBYG Hypertension BA00-BA04 Approved [60]
Methotrexate DM2TEOL Anterior urethra cancer Approved [61]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [62]
Quercetin DM3NC4M Obesity 5B81 Approved [63]
Troglitazone DM3VFPD Diabetic complication 5A2Y Approved [64]
Penicillamine DM40EF6 Cystinuria 5C60.2 Approved [65]
Rifampicin DM5DSFZ Non-insulin dependent diabetes 5A11 Approved [66]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [67]
Methotrexate DM2TEOL Anterior urethra cancer Approved [61]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [68]
Quercetin DM3NC4M Obesity 5B81 Approved [69]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [70]
Isotretinoin DM4QTBN Acne vulgaris ED80 Approved [70]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [71]
Lovastatin DM9OZWQ Arteriosclerosis BD40 Approved [72]
Pamidronate DMB4AVP Bone Paget disease Approved [73]
Atorvastatin DMF28YC Acute coronary syndrome BA41 Approved [74]
⏷ Show the Full List of 10 Drug(s)

Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Geranylgeranyl transferase I (GGTase-I) TTX20QP PGTB1_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
C-C motif chemokine 2 (CCL2) OTAD2HEL CCL2_HUMAN Gene/Protein Processing [2]
Krueppel-like factor 2 (KLF2) OTIP1UFX KLF2_HUMAN Gene/Protein Processing [2]
Nitric oxide synthase, inducible (NOS2) OTKKIOJ1 NOS2_HUMAN Gene/Protein Processing [3]
Superoxide dismutase , mitochondrial (SOD2) OTIWXGZ9 SODM_HUMAN Gene/Protein Processing [3]
Tissue factor (F3) OT3MSU3B TF_HUMAN Gene/Protein Processing [2]
Transferrin receptor protein 1 (TFRC) OT8ZPBDL TFR1_HUMAN Gene/Protein Processing [3]
Transforming protein RhoA (RHOA) OT6YOJ9N RHOA_HUMAN Protein Interaction/Cellular Processes [4]

References

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2 Simvastatin has an anti-inflammatory effect on macrophages via upregulation of an atheroprotective transcription factor, Kruppel-like factor 2. Cardiovasc Res. 2008 Apr 1;78(1):175-84.
3 Statin-induced inhibition of breast cancer proliferation and invasion involves attenuation of iron transport: intermediacy of nitric oxide and antioxidant defence mechanisms. FEBS J. 2014 Aug;281(16):3719-38.
4 Simvastatin potentiates tumor necrosis factor alpha-mediated apoptosis of human vascular endothelial cells via the inhibition of the geranylgeranylation of RhoA. Life Sci. 2006 Sep 5;79(15):1484-92. doi: 10.1016/j.lfs.2006.04.019. Epub 2006 Apr 29.
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6 Ras farnesyltransferase: a new therapeutic target. J Med Chem. 1997 Sep 12;40(19):2971-90.
7 Structure-activity relationships of cysteine-lacking pentapeptide derivatives that inhibit ras farnesyltransferase. J Med Chem. 1997 Jan 17;40(2):192-200.
8 Design and synthesis of o-trifluoromethylbiphenyl substituted 2-amino-nicotinonitriles as inhibitors of farnesyltransferase. Bioorg Med Chem Lett. 2005 Jan 3;15(1):153-8.
9 Geranylgeranyltransferase I of Candida albicans: null mutants or enzyme inhibitors produce unexpected phenotypes. J Bacteriol. 2000 Feb;182(3):704-13.
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11 Arsenite and cadmium promote the development of mammary tumors. Carcinogenesis. 2020 Jul 14;41(7):1005-1014. doi: 10.1093/carcin/bgz176.
12 Crosstalk between alveolar macrophages and alveolar epithelial cells/fibroblasts contributes to the pulmonary toxicity of gefitinib. Toxicol Lett. 2021 Mar 1;338:1-9. doi: 10.1016/j.toxlet.2020.11.011. Epub 2020 Nov 25.
13 Oxidative Stress Alters miRNA and Gene Expression Profiles in Villous First Trimester Trophoblasts. Biomed Res Int. 2015;2015:257090. doi: 10.1155/2015/257090. Epub 2015 Aug 3.
14 Cannabidiol selectively modulates interleukin (IL)-1 and IL-6 production in toll-like receptor activated human peripheral blood monocytes. Toxicology. 2021 Dec;464:153016. doi: 10.1016/j.tox.2021.153016. Epub 2021 Nov 2.
15 Monitoring of deiodinase deficiency based on transcriptomic responses in SH-SY5Y cells. Arch Toxicol. 2013 Jun;87(6):1103-13. doi: 10.1007/s00204-013-1018-4. Epub 2013 Feb 10.
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17 The contribution of methotrexate exposure and host factors on transcriptional variance in human liver. Toxicol Sci. 2007 Jun;97(2):582-94.
18 Simvastatin reduces expression of cytokines interleukin-6, interleukin-8, and monocyte chemoattractant protein-1 in circulating monocytes from hypercholesterolemic patients. Arterioscler Thromb Vasc Biol. 2002 Jul 1;22(7):1194-9. doi: 10.1161/01.atv.0000022694.16328.cc.
19 Plant polyphenols differentially modulate inflammatory responses of human keratinocytes by interfering with activation of transcription factors NFB and AhR and EGFR-ERK pathway. Toxicol Appl Pharmacol. 2011 Sep 1;255(2):138-49.
20 Inhibition of interleukin-1-induced endothelial tissue factor expression by the synthetic cannabinoid WIN 55,212-2. Oncotarget. 2016 Sep 20;7(38):61438-61457. doi: 10.18632/oncotarget.11367.
21 Elucidating mechanisms of toxicity using phenotypic data from primary human cell systems--a chemical biology approach for thrombosis-related side effects. Int J Mol Sci. 2015 Jan 5;16(1):1008-29. doi: 10.3390/ijms16011008.
22 The effects of chemotherapeutic agents on the regulation of thrombin on cell surfaces. Br J Haematol. 2003 Jan;120(2):315-24. doi: 10.1046/j.1365-2141.2003.03971.x.
23 Mechanisms of tissue factor induction by the uremic toxin indole-3 acetic acid through aryl hydrocarbon receptor/nuclear factor-kappa B signaling pathway in human endothelial cells. Arch Toxicol. 2019 Jan;93(1):121-136.
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28 Comparative gene expression analysis of a chronic myelogenous leukemia cell line resistant to cyclophosphamide using oligonucleotide arrays and response to tyrosine kinase inhibitors. Leuk Res. 2007 Nov;31(11):1511-20.
29 Simvastatin inactivates beta1-integrin and extracellular signal-related kinase signaling and inhibits cell proliferation in head and neck squamous cell carcinoma cells. Cancer Sci. 2007 Jun;98(6):890-9.
30 Identification of transcriptome signatures and biomarkers specific for potential developmental toxicants inhibiting human neural crest cell migration. Arch Toxicol. 2016 Jan;90(1):159-80.
31 Keratinocyte-derived IL-36gama plays a role in hydroquinone-induced chemical leukoderma through inhibition of melanogenesis in human epidermal melanocytes. Arch Toxicol. 2019 Aug;93(8):2307-2320.
32 Single-cell Transcriptome Mapping Identifies Common and Cell-type Specific Genes Affected by Acute Delta9-tetrahydrocannabinol in Humans. Sci Rep. 2020 Feb 26;10(1):3450. doi: 10.1038/s41598-020-59827-1.
33 Comparison of HepG2 and HepaRG by whole-genome gene expression analysis for the purpose of chemical hazard identification. Toxicol Sci. 2010 May;115(1):66-79.
34 Nuclear and Mitochondrial DNA Methylation Patterns Induced by Valproic Acid in Human Hepatocytes. Chem Res Toxicol. 2017 Oct 16;30(10):1847-1854. doi: 10.1021/acs.chemrestox.7b00171. Epub 2017 Sep 13.
35 Physiological and toxicological transcriptome changes in HepG2 cells exposed to copper. Physiol Genomics. 2009 Aug 7;38(3):386-401.
36 Acute hypersensitivity of pluripotent testicular cancer-derived embryonal carcinoma to low-dose 5-aza deoxycytidine is associated with global DNA Damage-associated p53 activation, anti-pluripotency and DNA demethylation. PLoS One. 2012;7(12):e53003. doi: 10.1371/journal.pone.0053003. Epub 2012 Dec 27.
37 Activation of AIFM2 enhances apoptosis of human lung cancer cells undergoing toxicological stress. Toxicol Lett. 2016 Sep 6;258:227-236.
38 Gene expression profiles with activation of the estrogen receptor alpha-selective estrogen receptor modulator complex in breast cancer cells expressing wild-type estrogen receptor. Cancer Res. 2002 Aug 1;62(15):4419-26.
39 Relationships and distinctions in iron-regulatory networks responding to interrelated signals. Blood. 2003 May 1;101(9):3690-8. doi: 10.1182/blood-2002-07-2140. Epub 2002 Sep 26.
40 Differential effects of statins on relevant functions of human monocyte-derived dendritic cells. J Leukoc Biol. 2006 Mar;79(3):529-38. doi: 10.1189/jlb.0205064. Epub 2005 Dec 30.
41 Quantitative proteomic analysis of HepG2 cells treated with quercetin suggests IQGAP1 involved in quercetin-induced regulation of cell proliferation and migration. OMICS. 2009 Apr;13(2):93-103. doi: 10.1089/omi.2008.0075.
42 Rofecoxib modulates multiple gene expression pathways in a clinical model of acute inflammatory pain. Pain. 2007 Mar;128(1-2):136-47.
43 Retinoic acid-induced downmodulation of telomerase activity in human cancer cells. Exp Mol Pathol. 2005 Oct;79(2):108-17.
44 Temporal changes in gene expression in the skin of patients treated with isotretinoin provide insight into its mechanism of action. Dermatoendocrinol. 2009 May;1(3):177-87.
45 Motexafin gadolinium and zinc induce oxidative stress responses and apoptosis in B-cell lymphoma lines. Cancer Res. 2005 Dec 15;65(24):11676-88.
46 Arsenic trioxide induces apoptosis of human monocytes during macrophagic differentiation through nuclear factor-kappaB-related survival pathway down-regulation. J Pharmacol Exp Ther. 2006 Jan;316(1):304-14. doi: 10.1124/jpet.105.092874. Epub 2005 Sep 20.
47 Phenolic metabolites of benzene inhibited the erythroid differentiation of K562 cells. Toxicol Lett. 2011 Jun 24;203(3):190-9. doi: 10.1016/j.toxlet.2011.03.012. Epub 2011 Mar 23.
48 Neuroprotective effects of glucomoringin-isothiocyanate against H(2)O(2)-Induced cytotoxicity in neuroblastoma (SH-SY5Y) cells. Neurotoxicology. 2019 Dec;75:89-104. doi: 10.1016/j.neuro.2019.09.008. Epub 2019 Sep 12.
49 Changes in gene expression profiles in response to selenium supplementation among individuals with arsenic-induced pre-malignant skin lesions. Toxicol Lett. 2007 Mar 8;169(2):162-76. doi: 10.1016/j.toxlet.2007.01.006. Epub 2007 Jan 19.
50 Antirheumatic drug response signatures in human chondrocytes: potential molecular targets to stimulate cartilage regeneration. Arthritis Res Ther. 2009;11(1):R15.
51 P450 3A-catalyzed O-dealkylation of lapatinib induces mitochondrial stress and activates Nrf2. Chem Res Toxicol. 2016 May 16;29(5):784-96.
52 Epinephrine upregulates superoxide dismutase in human coronary artery endothelial cells. Free Radic Biol Med. 2001 Jan 15;30(2):148-53.
53 Cissus quadrangularis ethanol extract upregulates superoxide dismutase, glutathione peroxidase and endothelial nitric oxide synthase expression in hydrogen peroxide-injured human ECV304 cells. J Ethnopharmacol. 2012 Sep 28;143(2):664-72.
54 Pharmacotoxicology of clinically-relevant concentrations of obeticholic acid in an organotypic human hepatocyte system. Toxicol In Vitro. 2017 Mar;39:93-103.
55 Manganese superoxide dismutase is a promising target for enhancing chemosensitivity of basal-like breast carcinoma. Antioxid Redox Signal. 2014 May 20;20(15):2326-46. doi: 10.1089/ars.2013.5295. Epub 2013 Nov 14.
56 Effect of retinoic acid on gene expression in human conjunctival epithelium: secretory phospholipase A2 mediates retinoic acid induction of MUC16. Invest Ophthalmol Vis Sci. 2005 Nov;46(11):4050-61.
57 Bringing in vitro analysis closer to in vivo: studying doxorubicin toxicity and associated mechanisms in 3D human microtissues with PBPK-based dose modelling. Toxicol Lett. 2018 Sep 15;294:184-192.
58 Development of an alternative zebrafish model for drug-induced intestinal toxicity. J Appl Toxicol. 2018 Feb;38(2):259-273. doi: 10.1002/jat.3520. Epub 2017 Oct 13.
59 The effects of quercetin in cultured human RPE cells under oxidative stress and in Ccl2/Cx3cr1 double deficient mice. Exp Eye Res. 2010 Jul;91(1):15-25.
60 Gaseous nitrogen oxide promotes human lung cancer cell line A549 migration, invasion, and metastasis via iNOS-mediated MMP-2 production. Toxicol Sci. 2008 Dec;106(2):364-75. doi: 10.1093/toxsci/kfn195. Epub 2008 Sep 16.
61 Functional gene expression profile underlying methotrexate-induced senescence in human colon cancer cells. Tumour Biol. 2011 Oct;32(5):965-76.
62 Mechanism of simvastatin-induced K562 cell apoptosis. Pharmacology. 2009;84(4):191-5. doi: 10.1159/000235907. Epub 2009 Sep 2.
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64 Increased sensitivity for troglitazone-induced cytotoxicity using a human in vitro co-culture model. Toxicol In Vitro. 2009 Oct;23(7):1387-95.
65 D-Penicillamine targets metastatic melanoma cells with induction of the unfolded protein response (UPR) and Noxa (PMAIP1)-dependent mitochondrial apoptosis. Apoptosis. 2012 Oct;17(10):1079-94.
66 Integrated analysis of rifampicin-induced microRNA and gene expression changes in human hepatocytes. Drug Metab Pharmacokinet. 2014;29(4):333-40.
67 Cannabidiol and Oxygen-Ozone Combination Induce Cytotoxicity in Human Pancreatic Ductal Adenocarcinoma Cell Lines. Cancers (Basel). 2020 Sep 27;12(10):2774. doi: 10.3390/cancers12102774.
68 Cytoskeletal activation and altered gene expression in endothelial barrier regulation by simvastatin. Am J Respir Cell Mol Biol. 2004 May;30(5):662-70. doi: 10.1165/rcmb.2003-0267OC. Epub 2003 Nov 20.
69 Quercetin inhibits migration and invasion of SAS human oral cancer cells through inhibition of NF-B and matrix metalloproteinase-2/-9 signaling pathways. Anticancer Res. 2013 May;33(5):1941-50.
70 Retinoic acid and its 4-oxo metabolites are functionally active in human skin cells in vitro. J Invest Dermatol. 2005 Jul;125(1):143-53.
71 Chronic occupational exposure to arsenic induces carcinogenic gene signaling networks and neoplastic transformation in human lung epithelial cells. Toxicol Appl Pharmacol. 2012 Jun 1;261(2):204-16.
72 Combining prenylation inhibitors causes synergistic cytotoxicity, apoptosis and disruption of RAS-to-MAP kinase signalling in multiple myeloma cells. Br J Haematol. 2005 Sep;130(6):912-25. doi: 10.1111/j.1365-2141.2005.05696.x.
73 Pamidronate induced anti-proliferative, apoptotic, and anti-migratory effects in hepatocellular carcinoma. J Hepatol. 2006 Jan;44(1):142-50. doi: 10.1016/j.jhep.2005.09.022. Epub 2005 Nov 9.
74 RhoA GTPase inactivation by statins induces osteosarcoma cell apoptosis by inhibiting p42/p44-MAPKs-Bcl-2 signaling independently of BMP-2 and cell differentiation. Cell Death Differ. 2006 Nov;13(11):1845-56. doi: 10.1038/sj.cdd.4401873. Epub 2006 Feb 10.