vismodegib

chemical compound

Wikidata entity: Q2070286

C₁₉H₁₄Cl₂N₂O₃S (P274)


Wikimedia Commons category is Vismodegib



Quantities

P2067mass420.01

P3780 active ingredient in ... Q29005820 (Erivedge) Erivedge
P233 canonical SMILES String CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl ???
P373 Commons category String Vismodegib ???
P366 has use ... Q12140 (medication) medication
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P3493 legal status (medicine) ... Q879952 (boxed warning) boxed warning
P8026 LiverTox likelihood score ... Q83284310 (LiverTox toxicity likelihood category C) LiverTox toxicity likelihood category C
P2175 medical condition treated ... Q192102 (skin cancer) skin cancer
P2175 medical condition treated ... Q809758 (basal-cell carcinoma of the skin) basal-cell carcinoma of the skin
P129 physically interacts with ... Q3271551 (smoothened, frizzled class receptor) smoothened, frizzled class receptor
P3489 pregnancy category ... Q3679561 (Australian pregnancy category X) Australian pregnancy category X
P3489 pregnancy category ... Q28123618 (US pregnancy category D) US pregnancy category D
P279 subclass of ... Q11173 (chemical compound) chemical compound
P2868 subject has role ... Q55427774 (male reproductive toxicant) male reproductive toxicant
P2868 subject has role ... Q55427776 (female reproductive toxicant) female reproductive toxicant
P2868 subject has role ... Q72941151 (developmental toxicant) developmental toxicant
P2275 World Health Organisation international non-proprietary name Monolingualtext vismodegib ???

External Ids
P267ATC codeL01XX43
P7524CA PROP 65 IDvismodegib
P231CAS Registry Number879085-55-9
P683ChEBI ID66903
P592ChEMBL IDCHEMBL473417
P661ChemSpider ID23337846
P715DrugBank IDDB08828
P11198DrugCentral ID4227
P8494DSSTOX compound identifierDTXCID20159180
P3117DSSTox substance IDDTXSID40236689
P232EC number806-752-3
P2566ECHA Substance Infocard ID100.234.019
P646Freebase ID/m/0gyvnyj
P595Guide to Pharmacology Ligand ID6975
P2062HSDB ID8130
P2057Human Metabolome Database IDHMDB0259838
P234InChIInChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)
P235InChIKeyBPQMGSKTAYIVFO-UHFFFAOYSA-N
P665KEGG IDD09992
P7830LiverTox IDVismodegib
P10245MedlinePlus drug identifiera612010
P6366Microsoft Academic ID (discontinued)2779545874
P2115NDF-RT IDN0000184321
P2840NSC number755986
P10283OpenAlex IDC2779545874
P4235PatientsLikeMe treatment IDvismodegib
P3636PDB ligand IDVIS
P638PDB structure ID5L7I
P11199Probes And Drugs IDPD004109
P662PubChem CID24776445
P1579Reaxys registry number12532124
P3345RxNorm CUI1242987
P4964SPLASHsplash10-00di-0212900000-190a5fdca2d781122e92
P2877SureChEMBL ID302587
P2892UMLS CUIC2987716
P11089UniChem compound ID533084
P652UNII25X868M3DS
P11143WikiProjectMed IDVismodegib

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