Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMU5SZP)

Drug Name
Inecalcitol oral Drug Info
Synonyms
Inecalcitol; TX-522; UNII-05FZV98342; TX 522; 163217-09-2; AC1OCD0K; 19-Nor-14-epi-23-yne-1,25 dihydroxyvitamin D3; 05FZV98342; (1R,3R)-5-[(2E)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol; (7E)-(1R,3R,14R)-19-nor-23-yne-9,10-seco-5,7-cholestadiene-1,3,25-triol; Inecalcitol [INN]; SCHEMBL754593; GTPL7747; CHEMBL2105107; LMST03020649; 8151AH; ZINC12504514; AKOS025312295; AN-7569; DB04796; Inecalcitol; TX-527; Vitamin D analogs, Catholic University of Leuven; Vitamin D analogs, KULeuven; Inecalcitol (oral, hyperthyroidism), Hybrigenics; Inecalcitol (sc, psoriasis), Hybrigenics; Vitamin D analog (sc, psoriasis), Hybrigenics; Inecalcitol (oral, prostate cancer/psoriasis), Hybrigenics; 19-nor-14-epi-23-yne-1,25 dihydroxyvitamin D3
Indication
Disease Entry ICD 11 Status REF
Acute myeloid leukaemia 2A60 Phase 2 [1]
Prostate cancer 2C82.0 Phase 2 [2]
Cross-matching ID
PubChem CID
6915835
CAS Number
CAS 163217-09-2
TTD Drug ID
DMU5SZP

Molecule-Related Drug Atlas

Molecule-Related Drug Atlas
Molecule Type:
DTT
DOT
Drug Status:
Approved Drug(s)
Clinical Trial Drug(s)
Investigative Drug(s)
Download the Complete Related Drug List
Drug(s) Targeting Vitamin D3 receptor (VDR)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Ergocalciferol DMHO0AR Hypoparathyroidism 5A50 Approved [5]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [6]
Calcidiol DMN4CV5 Hypophosphatemia Approved [5]
Doxercalciferol DM6FG1P Chronic kidney disease GB61 Approved [7]
Calcipotriol DM03CP7 Psoriasis EA90 Approved [8]
Falecalcitrol DMBI9ZJ Hyperparathyroidism 5A51 Approved [9]
Dihydrotachysterol DMFB97P Hypocalcemia 5B5K.1 Approved [10]
Cholecalciferol DMGU74E Adult acute monocytic leukemia Approved [11]
Paricalcitol DMYBV3G Hyperparathyroidism 5A51 Approved [12]
Seocalcitol DMKL9QO Rickets 5B57 Phase 3 [13]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Retinoblastoma-associated protein (RB1)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Indomethacin DMSC4A7 Bursitis Approved [14]
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [15]
Gefitinib DM15F0X Colon adenocarcinoma Approved [16]
Talazoparib DM1KS78 Breast cancer 2C60-2C65 Approved [17]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [18]
Trametinib DM2JGQ3 Melanoma 2C30 Approved [19]
Sulindac DM2QHZU Acute myelogenous leukaemia 2A41 Approved [20]
Methotrexate DM2TEOL Anterior urethra cancer Approved [21]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [22]
Quercetin DM3NC4M Obesity 5B81 Approved [23]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By G1/S-specific cyclin-D1 (CCND1)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Indomethacin DMSC4A7 Bursitis Approved [24]
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [25]
Beta-carotene DM0RXBT Vitamin deficiency 5B55-5B71 Approved [26]
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [27]
Gefitinib DM15F0X Colon adenocarcinoma Approved [28]
Talazoparib DM1KS78 Breast cancer 2C60-2C65 Approved [17]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [29]
Selenium DM25CGV N. A. N. A. Approved [30]
Ribavirin DMEYLH9 Hepatitis C virus infection 1E51.1 Approved [31]
Sulindac DM2QHZU Acute myelogenous leukaemia 2A41 Approved [32]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Cyclin-C (CCNC)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Selenium DM25CGV N. A. N. A. Approved [33]
Testosterone DM7HUNW Hot flushes GA30 Approved [34]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [35]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [36]
Rosiglitazone DMILWZR Chronic kidney disease GB61 Approved [37]
Dihydroxyacetone DMM1LG2 Sunburn EJ40 Approved [38]
Piroxicam DMTK234 Osteoarthritis FA00-FA05 Approved [39]
Arsenic DMTL2Y1 N. A. N. A. Approved [40]
Fluorouracil DMUM7HZ Adenocarcinoma 2D40 Approved [41]
bisphenol A DM2ZLD7 Discovery agent N.A. Investigative [42]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Cyclin-dependent kinase inhibitor 1 (CDKN1A)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Zidovudine DM4KI7O Human immunodeficiency virus infection 1C62 Approved [43]
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [44]
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [45]
Gefitinib DM15F0X Colon adenocarcinoma Approved [46]
Talazoparib DM1KS78 Breast cancer 2C60-2C65 Approved [17]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [47]
Etretinate DM2CZFA Keratosis ED56 Approved [48]
Prednisone DM2HG4X Acute asthma CA23 Approved [49]
Ciprofloxacin XR DM2NLS9 Acute gonococcal cervicitis Approved [50]
Colchicine DM2POTE Acute gout flare FA25.0 Approved [51]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Cyclin-dependent kinase inhibitor 1B (CDKN1B)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [15]
Gefitinib DM15F0X Colon adenocarcinoma Approved [28]
Prednisone DM2HG4X Acute asthma CA23 Approved [49]
Methotrexate DM2TEOL Anterior urethra cancer Approved [52]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [53]
Lapatinib DM3BH1Y Breast cancer 2C60-2C65 Approved [54]
Quercetin DM3NC4M Obesity 5B81 Approved [55]
Fluoxetine DM3PD2C Bipolar depression Approved [56]
Troglitazone DM3VFPD Diabetic complication 5A2Y Approved [57]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [58]
⏷ Show the Full List of 10 Drug(s)

Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas
Download the Complete Interaction Atlas for Visualization in Cytoscape

Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Vitamin D3 receptor (VDR) TTK59TV VDR_HUMAN Agonist [3]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Cyclin-C (CCNC) OTMVK4K4 CCNC_HUMAN Gene/Protein Processing [4]
Cyclin-dependent kinase inhibitor 1 (CDKN1A) OTQWHCZE CDN1A_HUMAN Gene/Protein Processing [4]
Cyclin-dependent kinase inhibitor 1B (CDKN1B) OTNY5LLZ CDN1B_HUMAN Gene/Protein Processing [4]
G1/S-specific cyclin-D1 (CCND1) OT8HPTKJ CCND1_HUMAN Gene/Protein Processing [4]
Retinoblastoma-associated protein (RB1) OTQJUJMZ RB_HUMAN Post-Translational Modifications [4]

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7747).
3 Inecalcitol, an analog of 1,25D3, displays enhanced antitumor activity through the induction of apoptosis in a squamous cell carcinoma model system. Cell Cycle. 2013 Mar 1;12(5):743-52.
4 Two novel 14-Epi-analogues of 1,25-dihydroxyvitamin D3 inhibit the growth of human breast cancer cells in vitro and in vivo. Cancer Res. 2000 May 15;60(10):2673-9.
5 Vitamin D in health and disease. Clin J Am Soc Nephrol. 2008 Sep;3(5):1535-41.
6 Kaposi sarcoma is a therapeutic target for vitamin D(3) receptor agonist. Blood. 2000 Nov 1;96(9):3188-94.
7 Emerging drugs for psoriasis. Expert Opin Emerg Drugs. 2009 Mar;14(1):145-63.
8 Cellular and molecular mechanisms involved in the action of vitamin D analogs targeting vitiligo depigmentation. Curr Drug Targets. 2008 Apr;9(4):345-59.
9 Synthesis and biological evaluations of A-ring isomers of 26,26,26,27,27,27-hexafluoro-1,25-dihydroxyvitamin D3. Bioorg Med Chem. 2000 Aug;8(8):2157-66.
10 In vivo metabolism of the vitamin D analog, dihydrotachysterol. Evidence for formation of 1 alpha,25- and 1 beta,25-dihydroxy-dihydrotachysterol metabolites and studies of their biological activity. J Biol Chem. 1993 Jan 5;268(1):282-92.
11 [Vitamin D2 or vitamin D3]. Rev Med Interne. 2008 Oct;29(10):815-20.
12 New acquisitions in therapy of secondary hyperparathyroidism in chronic kidney disease and peritoneal dialysis patients: role of vitamin D receptor... Contrib Nephrol. 2009;163:219-226.
13 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
14 Indomethacin inhibits cell growth of medullary thyroid carcinoma by reducing cell cycle progression into S phase. Exp Biol Med (Maywood). 2008 Nov;233(11):1433-40. doi: 10.3181/0804-RM-127. Epub 2008 Sep 12.
15 Therapeutically activating RB: reestablishing cell cycle control in endocrine therapy-resistant breast cancer. Endocr Relat Cancer. 2011 Apr 28;18(3):333-45. doi: 10.1530/ERC-10-0262. Print 2011 Jun.
16 Effects and mechanisms of betulinic acid on improving EGFR TKI-resistance of lung cancer cells. Environ Toxicol. 2018 Nov;33(11):1153-1159.
17 BMN 673 (talazoparib): A potent PARP inhibitor for triple negative breast cancer with different genetic profile. J Biochem Mol Toxicol. 2019 May;33(5):e22286. doi: 10.1002/jbt.22286. Epub 2019 Jan 23.
18 Microarray analysis of H2O2-, HNE-, or tBH-treated ARPE-19 cells. Free Radic Biol Med. 2002 Nov 15;33(10):1419-32.
19 Combination small molecule MEK and PI3K inhibition enhances uveal melanoma cell death in a mutant GNAQ- and GNA11-dependent manner. Clin Cancer Res. 2012 Aug 15;18(16):4345-55. doi: 10.1158/1078-0432.CCR-11-3227. Epub 2012 Jun 25.
20 Sulindac induces specific degradation of the HPV oncoprotein E7 and causes growth arrest and apoptosis in cervical carcinoma cells. Cancer Lett. 2007 Jan 8;245(1-2):103-11. doi: 10.1016/j.canlet.2005.12.034. Epub 2006 Feb 20.
21 Melanoma coordinates general and cell-specific mechanisms to promote methotrexate resistance. Exp Cell Res. 2012 Jun 10;318(10):1146-59.
22 HMG-CoA reductase inhibitor simvastatin inhibits cell cycle progression at the G1/S checkpoint in immortalized lymphocytes from Alzheimer's disease patients independently of cholesterol-lowering effects. J Pharmacol Exp Ther. 2008 Jan;324(1):352-9. doi: 10.1124/jpet.107.128959. Epub 2007 Oct 10.
23 Inhibition of prostate cancer cell colony formation by the flavonoid quercetin correlates with modulation of specific regulatory genes. Clin Diagn Lab Immunol. 2004 Jan;11(1):63-9. doi: 10.1128/cdli.11.1.63-69.2004.
24 The nonsteroidal anti-inflammatory drugs aspirin and indomethacin attenuate beta-catenin/TCF-4 signaling. Oncogene. 2001 Feb 1;20(5):645-53. doi: 10.1038/sj.onc.1204123.
25 Novel mechanism of cannabidiol-induced apoptosis in breast cancer cell lines. Breast. 2018 Oct;41:34-41. doi: 10.1016/j.breast.2018.06.009. Epub 2018 Jun 22.
26 -Carotene Induces Apoptosis in Human Esophageal Squamous Cell Carcinoma Cell Lines via the Cav-1/AKT/NF-B Signaling Pathway. J Biochem Mol Toxicol. 2016 Mar;30(3):148-57. doi: 10.1002/jbt.21773. Epub 2016 Jan 6.
27 Cross-talk between non-genomic and genomic signalling pathways--distinct effect profiles of environmental estrogens. Toxicol Appl Pharmacol. 2010 Jun 1;245(2):160-70. doi: 10.1016/j.taap.2010.02.015. Epub 2010 Mar 4.
28 Dasatinib (BMS-354825) selectively induces apoptosis in lung cancer cells dependent on epidermal growth factor receptor signaling for survival. Cancer Res. 2006 Jun 1;66(11):5542-8. doi: 10.1158/0008-5472.CAN-05-4620.
29 Resveratrol attenuates senescence of adipose-derived mesenchymal stem cells and restores their paracrine effects on promoting insulin secretion of INS-1 cells through Pim-1. Eur Rev Med Pharmacol Sci. 2016;20(6):1203-13.
30 Selenium and vitamin E: cell type- and intervention-specific tissue effects in prostate cancer. J Natl Cancer Inst. 2009 Mar 4;101(5):306-20.
31 Ribavirin augments doxorubicin's efficacy in human hepatocellular carcinoma through inhibiting doxorubicin-induced eIF4E activation. J Biochem Mol Toxicol. 2018 Jan;32(1). doi: 10.1002/jbt.22007. Epub 2017 Nov 7.
32 Cell cycle effects of nonsteroidal anti-inflammatory drugs and enhanced growth inhibition in combination with gemcitabine in pancreatic carcinoma cells. J Pharmacol Exp Ther. 2001 Sep;298(3):976-85.
33 Selenite and selenomethionine promote HL-60 cell cycle progression. J Nutr. 2002 Apr;132(4):674-9. doi: 10.1093/jn/132.4.674.
34 The exosome-like vesicles derived from androgen exposed-prostate stromal cells promote epithelial cells proliferation and epithelial-mesenchymal transition. Toxicol Appl Pharmacol. 2021 Jan 15;411:115384. doi: 10.1016/j.taap.2020.115384. Epub 2020 Dec 25.
35 The human peroxisome proliferator-activated receptor delta gene is a primary target of 1alpha,25-dihydroxyvitamin D3 and its nuclear receptor. J Mol Biol. 2005 Jun 3;349(2):248-60. doi: 10.1016/j.jmb.2005.03.060. Epub 2005 Apr 7.
36 Integrative omics data analyses of repeated dose toxicity of valproic acid in vitro reveal new mechanisms of steatosis induction. Toxicology. 2018 Jan 15;393:160-170.
37 Rosiglitazone sensitizes MDA-MB-231 breast cancer cells to anti-tumour effects of tumour necrosis factor-alpha, CH11 and CYC202. Endocr Relat Cancer. 2007 Jun;14(2):305-15. doi: 10.1677/ERC-06-0003.
38 The sunless tanning agent dihydroxyacetone induces stress response gene expression and signaling in cultured human keratinocytes and reconstructed epidermis. Redox Biol. 2020 Sep;36:101594. doi: 10.1016/j.redox.2020.101594. Epub 2020 May 29.
39 Apoptosis induced by piroxicam plus cisplatin combined treatment is triggered by p21 in mesothelioma. PLoS One. 2011;6(8):e23569.
40 Arsenic-induced cell proliferation is associated with enhanced ROS generation, Erk signaling and CyclinA expression. Toxicol Lett. 2010 Oct 5;198(2):263-71. doi: 10.1016/j.toxlet.2010.07.006. Epub 2010 Jul 21.
41 Cellular response to 5-fluorouracil (5-FU) in 5-FU-resistant colon cancer cell lines during treatment and recovery. Mol Cancer. 2006 May 18;5:20. doi: 10.1186/1476-4598-5-20.
42 Bisphenol A induces DSB-ATM-p53 signaling leading to cell cycle arrest, senescence, autophagy, stress response, and estrogen release in human fetal lung fibroblasts. Arch Toxicol. 2018 Apr;92(4):1453-1469.
43 Zidovudine induces S-phase arrest and cell cycle gene expression changes in human cells. Mutagenesis. 2005 Mar;20(2):139-46. doi: 10.1093/mutage/gei019. Epub 2005 Mar 22.
44 Cannabidiol Activates Neuronal Precursor Genes in Human Gingival Mesenchymal Stromal Cells. J Cell Biochem. 2017 Jun;118(6):1531-1546. doi: 10.1002/jcb.25815. Epub 2016 Dec 29.
45 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.
46 Leptomycin B reduces primary and acquired resistance of gefitinib in lung cancer cells. Toxicol Appl Pharmacol. 2017 Nov 15;335:16-27. doi: 10.1016/j.taap.2017.09.017. Epub 2017 Sep 21.
47 Gene expression after treatment with hydrogen peroxide, menadione, or t-butyl hydroperoxide in breast cancer cells. Cancer Res. 2002 Nov 1;62(21):6246-54.
48 Bexarotene activates the p53/p73 pathway in human cutaneous T-cell lymphoma. Br J Dermatol. 2009 Mar;160(3):519-26. doi: 10.1111/j.1365-2133.2008.08931.x. Epub 2008 Nov 25.
49 Glucocorticoids induce G1 arrest of lymphoblastic cells through retinoblastoma protein Rb1 dephosphorylation in childhood acute lymphoblastic leukemia in vivo. Cancer Biol Ther. 2004 May;3(5):470-6. doi: 10.4161/cbt.3.5.838. Epub 2004 May 9.
50 Ciprofloxacin mediated cell growth inhibition, S/G2-M cell cycle arrest, and apoptosis in a human transitional cell carcinoma of the bladder cell line. Clin Cancer Res. 2000 Mar;6(3):891-900.
51 Utilization of CDKN1A/p21 gene for class discrimination of DNA damage-induced clastogenicity. Toxicology. 2014 Jan 6;315:8-16. doi: 10.1016/j.tox.2013.10.009. Epub 2013 Nov 6.
52 Methotrexate increases expression of cell cycle checkpoint genes via JNK activation. Arthritis Rheum. 2012 Jun;64(6):1780-9. doi: 10.1002/art.34342. Epub 2011 Dec 19.
53 Simvastatin inhibits growth via apoptosis and the induction of cell cycle arrest in human melanoma cells. Melanoma Res. 2008 Apr;18(2):85-94. doi: 10.1097/CMR.0b013e3282f60097.
54 The dual ErbB1/ErbB2 inhibitor, lapatinib (GW572016), cooperates with tamoxifen to inhibit both cell proliferation- and estrogen-dependent gene expression in antiestrogen-resistant breast cancer. Cancer Res. 2005 Jan 1;65(1):18-25.
55 Effects of structurally related flavonoids on cell cycle progression of human melanoma cells: regulation of cyclin-dependent kinases CDK2 and CDK1. Biochem Pharmacol. 2001 May 15;61(10):1205-15. doi: 10.1016/s0006-2952(01)00583-4.
56 Fluoxetine mediates G0/G1 arrest by inducing functional inhibition of cyclin dependent kinase subunit (CKS)1. Biochem Pharmacol. 2008 May 15;75(10):1924-34. doi: 10.1016/j.bcp.2008.02.013. Epub 2008 Feb 17.
57 Induction mechanism of apoptosis by troglitazone through peroxisome proliferator-activated receptor-gamma in gastric carcinoma cells. Anticancer Res. 2003 Jan-Feb;23(1A):267-73.
58 Down-regulation of CD44 contributes to the differentiation of HL-60 cells induced by ATRA or HMBA. Cell Mol Immunol. 2007 Feb;4(1):59-63.