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

General Information of Drug (ID: DM5IXKQ)

Drug Name
Vismodegib Drug Info
Synonyms
879085-55-9; GDC-0449; Erivedge; 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide; Vismodegib (GDC-0449); HhAntag691; GDC0449; GDC 0449; UNII-25X868M3DS; CHEMBL473417; CHEBI:66903; 25X868M3DS; NSC755986; AK-77261; 2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-(methylsulfonyl)benzamide; C19H14Cl2N2O3S; 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide; 2-chloro-n-(4-chloro-3-(2-pyridinyl)phenyl)-4-(methylsulfonyl)benzamide; Erivedge (TN); Vismodegib (SHH inhibitor); Gdc-0449
Indication
Disease Entry ICD 11 Status REF
Basal cell carcinoma 2C32 Approved [1]
Primitive neuroectodermal tumour medulloblastoma 2A00.11 Phase 2 [2]
Cross-matching ID
PubChem CID
24776445
ChEBI ID
CHEMBL473417
CAS Number
CAS 879085-55-9
TTD Drug ID
DM5IXKQ
VARIDT Drug ID
DR00234
INTEDE Drug ID
DR1698
ACDINA Drug ID
D00730

Molecule-Related Drug Atlas

Molecule-Related Drug Atlas
Molecule Type:
DTT
DME
DOT
Drug Status:
Approved Drug(s)
Clinical Trial Drug(s)
Patented Agent(s)
Investigative Drug(s)
Download the Complete Related Drug List
Drug(s) Targeting Smoothened homolog (SMO)
Drug Name Drug ID Indication ICD 11 Highest Status REF
PF-04449913 DMSB068 Chronic myelomonocytic leukaemia 2A40 Approved [7]
LDE225 DMM9F25 Basal cell carcinoma 2C32 Phase 2 [8]
LY2940680 DMTJWIQ Solid tumour/cancer 2A00-2F9Z Phase 1/2 [7]
BMS-833923 DM459Q7 Solid tumour/cancer 2A00-2F9Z Phase 1b [9]
LEQ-506 DM5INZP Solid tumour/cancer 2A00-2F9Z Phase 1 [10]
TAK-441 DM7DFBL Solid tumour/cancer 2A00-2F9Z Phase 1 [11]
PMID25726713-Compound-49 DM2CT4G N. A. N. A. Patented [12]
PMID25726713-Compound-51 DMF0OW4 N. A. N. A. Patented [12]
PMID25726713-Compound-48 DMSIOUA N. A. N. A. Patented [12]
PMID25726713-Compound-47 DMXE5KM N. A. N. A. Patented [12]
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Drug(s) Metabolized By Cytochrome P450 3A4 (CYP3A4)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Doxorubicin DMVP5YE Acute myelogenous leukaemia 2A41 Approved [13]
Progesterone DMUY35B Amenorrhea GA20.0 Approved [14]
Tamoxifen DMLB0EZ Breast cancer 2C60-2C65 Approved [15]
Estradiol DMUNTE3 Acne vulgaris ED80 Approved [16]
Acetaminophen DMUIE76 Allergic rhinitis CA08.0 Approved [17]
Imatinib DM7RJXL Acute lymphoblastic leukaemia 2A85 Approved [18]
Etoposide DMNH3PG Acute myelogenous leukaemia 2A41 Approved [19]
Zidovudine DM4KI7O Human immunodeficiency virus infection 1C62 Approved [20]
Prasterone DM67VKL Chronic obstructive pulmonary disease CA22 Approved [14]
Verapamil DMA7PEW Angina pectoris BA40 Approved [21]
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Drug(s) Metabolized By Cytochrome P450 2C9 (CYP2C9)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Progesterone DMUY35B Amenorrhea GA20.0 Approved [22]
Tamoxifen DMLB0EZ Breast cancer 2C60-2C65 Approved [23]
Estradiol DMUNTE3 Acne vulgaris ED80 Approved [24]
Acetaminophen DMUIE76 Allergic rhinitis CA08.0 Approved [25]
Imatinib DM7RJXL Acute lymphoblastic leukaemia 2A85 Approved [26]
Zidovudine DM4KI7O Human immunodeficiency virus infection 1C62 Approved [25]
Verapamil DMA7PEW Angina pectoris BA40 Approved [27]
Diclofenac DMPIHLS Chronic renal failure GB61.Z Approved [28]
Estrone DM5T6US Acne vulgaris ED80 Approved [29]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [30]
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Drug(s) Affected By Tumor necrosis factor receptor superfamily member 10A (TNFRSF10A)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Methotrexate DM2TEOL Anterior urethra cancer Approved [31]
Quercetin DM3NC4M Obesity 5B81 Approved [32]
Troglitazone DM3VFPD Diabetic complication 5A2Y Approved [33]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [34]
Bupropion DM5PCS7 Depression 6A70-6A7Z Approved [35]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [36]
Thalidomide DM70BU5 Adult T-cell leukemia/lymphoma Approved [37]
Acocantherin DM7JT24 Atrial fibrillation BC81.3 Approved [38]
Ciclosporin DMAZJFX Graft-versus-host disease 4B24 Approved [39]
Cantharidin DMBP5N3 Molluscum contagiosum infection 1E76 Approved [40]
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Drug(s) Affected By Tumor necrosis factor receptor superfamily member 10B (TNFRSF10B)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Cisplatin DMRHGI9 Adenocarcinoma 2D40 Approved [41]
Gemcitabine DMSE3I7 Anterior urethra cancer Approved [42]
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [43]
Bepridil DM0RKS4 Chronic/stable angina BA40.1 Approved [44]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [45]
Selenium DM25CGV N. A. N. A. Approved [46]
Colchicine DM2POTE Acute gout flare FA25.0 Approved [41]
Sulindac DM2QHZU Acute myelogenous leukaemia 2A41 Approved [47]
Methotrexate DM2TEOL Anterior urethra cancer Approved [48]
Dactinomycin DM2YGNW Adult kidney Wilms tumor Approved [47]
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Drug(s) Affected By Zinc finger protein GLI2 (GLI2)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Selenium DM25CGV N. A. N. A. Approved [49]
Quercetin DM3NC4M Obesity 5B81 Approved [50]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [51]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [52]
Marinol DM70IK5 Anorexia nervosa cachexia 6B80 Approved [53]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [54]
Temozolomide DMKECZD Adenocarcinoma 2D40 Approved [55]
Dexamethasone DMMWZET Acute adrenal insufficiency Approved [56]
Decitabine DMQL8XJ Acute myelogenous leukaemia 2A41 Approved [57]
Cisplatin DMRHGI9 Adenocarcinoma 2D40 Approved [58]
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Drug(s) Affected By Tumor necrosis factor receptor superfamily member 6 (FAS)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Beta-carotene DM0RXBT Vitamin deficiency 5B55-5B71 Approved [59]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [60]
Nitric Oxide DM1RBYG Hypertension BA00-BA04 Approved [61]
Methotrexate DM2TEOL Anterior urethra cancer Approved [62]
Epinephrine DM3KJBC Acute asthma CA23 Approved [63]
Quercetin DM3NC4M Obesity 5B81 Approved [64]
Troglitazone DM3VFPD Diabetic complication 5A2Y Approved [65]
Fructose DM43AN2 Vomiting MD90 Approved [66]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [59]
Cyclophosphamide DM4O2Z7 Advanced cancer 2A00-2F9Z Approved [67]
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Drug(s) Affected By Protein patched homolog 1 (PTCH1)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [68]
Quercetin DM3NC4M Obesity 5B81 Approved [32]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [52]
Marinol DM70IK5 Anorexia nervosa cachexia 6B80 Approved [53]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [54]
Ethanol DMDRQZU Chronic pain MG30 Approved [69]
Azathioprine DMMZSXQ Lupus nephritis 4A40.0Y Approved [70]
Cisplatin DMRHGI9 Adenocarcinoma 2D40 Approved [58]
Gemcitabine DMSE3I7 Anterior urethra cancer Approved [71]
Arsenic DMTL2Y1 N. A. N. A. Approved [72]
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Drug(s) Affected By Protein smoothened (SMO)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [73]
Quercetin DM3NC4M Obesity 5B81 Approved [50]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [74]
Leflunomide DMR8ONJ Arthritis FA20 Approved [75]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [76]
Temozolomide DMKECZD Adenocarcinoma 2D40 Approved [55]
Dexamethasone DMMWZET Acute adrenal insufficiency Approved [56]
Cupric Sulfate DMP0NFQ Fungal infection 1F29-1F2F Approved [77]
Cisplatin DMRHGI9 Adenocarcinoma 2D40 Approved [58]
Gemcitabine DMSE3I7 Anterior urethra cancer Approved [78]
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Drug(s) Affected By Protein patched homolog 2 (PTCH2)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Ethanol DMDRQZU Chronic pain MG30 Approved [69]
Benzo(a)pyrene DMN7J43 N. A. N. A. Phase 1 [79]
bisphenol A DM2ZLD7 Discovery agent N.A. Investigative [80]
Drug(s) Affected By Suppressor of fused homolog (SUFU)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Quercetin DM3NC4M Obesity 5B81 Approved [81]
Marinol DM70IK5 Anorexia nervosa cachexia 6B80 Approved [53]
Cupric Sulfate DMP0NFQ Fungal infection 1F29-1F2F Approved [77]
Arsenic DMTL2Y1 N. A. N. A. Approved [82]
Fluorouracil DMUM7HZ Adenocarcinoma 2D40 Approved [83]
Estradiol DMUNTE3 Acne vulgaris ED80 Approved [84]
Doxorubicin DMVP5YE Acute myelogenous leukaemia 2A41 Approved [85]
Urethane DM7NSI0 N. A. N. A. Phase 4 [86]
LDE225 DMM9F25 Basal cell carcinoma 2C32 Phase 2 [6]
Benzo(a)pyrene DMN7J43 N. A. N. A. Phase 1 [79]
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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
Smoothened homolog (SMO) TT8J1S3 SMO_HUMAN Modulator [3]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) Main DME DE4LYSA CP3A4_HUMAN Substrate [4]
Cytochrome P450 2C9 (CYP2C9) Main DME DE5IED8 CP2C9_HUMAN Substrate [4]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Protein patched homolog 1 (PTCH1) OTMG07H5 PTC1_HUMAN Gene/Protein Processing [5]
Protein patched homolog 2 (PTCH2) OTOQ0K9V PTC2_HUMAN Gene/Protein Processing [5]
Protein smoothened (SMO) OTXXE208 SMO_HUMAN Gene/Protein Processing [5]
Suppressor of fused homolog (SUFU) OT0IRYG1 SUFU_HUMAN Drug Response [6]
Tumor necrosis factor receptor superfamily member 10A (TNFRSF10A) OTBPCU2O TR10A_HUMAN Gene/Protein Processing [5]
Tumor necrosis factor receptor superfamily member 10B (TNFRSF10B) OTA1CPBV TR10B_HUMAN Gene/Protein Processing [5]
Tumor necrosis factor receptor superfamily member 6 (FAS) OTP9XG86 TNR6_HUMAN Gene/Protein Processing [5]
Zinc finger protein GLI2 (GLI2) OTIRV97L GLI2_HUMAN Gene/Protein Processing [5]

References

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73 Cannabidiol enhances cytotoxicity of anti-cancer drugs in human head and neck squamous cell carcinoma. Sci Rep. 2020 Nov 26;10(1):20622. doi: 10.1038/s41598-020-77674-y.
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75 Endoplasmic reticulum stress and MAPK signaling pathway activation underlie leflunomide-induced toxicity in HepG2 Cells. Toxicology. 2017 Dec 1;392:11-21.
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77 Physiological and toxicological transcriptome changes in HepG2 cells exposed to copper. Physiol Genomics. 2009 Aug 7;38(3):386-401.
78 Suppression of cancer relapse and metastasis by inhibiting cancer stemness. Proc Natl Acad Sci U S A. 2015 Feb 10;112(6):1839-44. doi: 10.1073/pnas.1424171112. Epub 2015 Jan 20.
79 Air pollution and DNA methylation alterations in lung cancer: A systematic and comparative study. Oncotarget. 2017 Jan 3;8(1):1369-1391. doi: 10.18632/oncotarget.13622.
80 DNA methylome-wide alterations associated with estrogen receptor-dependent effects of bisphenols in breast cancer. Clin Epigenetics. 2019 Oct 10;11(1):138. doi: 10.1186/s13148-019-0725-y.
81 Quantitative phosphoproteomics reveal cellular responses from caffeine, coumarin and quercetin in treated HepG2 cells. Toxicol Appl Pharmacol. 2022 Aug 15;449:116110. doi: 10.1016/j.taap.2022.116110. Epub 2022 Jun 7.
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