iGMDRD601

Canonical SMILES: CC1=C(SC(=N1)NC(=O)N2CCCC2C(=O)N)C3=CSC(=N3)C(C)(C)C

InChI: InChI=1S/C17H23N5O2S2/c1-9-12(10-8-25-14(20-10)17(2,3)4)26-15(19-9)21-16(24)22-7-5-6-11(22)13(18)23/h8,11H,5-7H2,1-4H3,(H2,18,23)(H,19,21,24)/t11-/m0/s1

InChI Key: HBPXWEPKNBHKAX-NSHDSACASA-N

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Standard Name
CHEMBL
Pubchem CID
Drug Status
Drug Type
Standard Name1166227-08-2
CHEMBLCHEMBL3218581
Pubchem CID42636500
Drug StatusAlone
Drug TypeSmall Molecule

Drug-model tissue-cancer distribution: Bubble Plot

BREAStissue: BREAS cancer: BREAST model num: 0BREASTtissue: BREAST cancer: Breast Carcinoma model num: 1

Drug-gene pathway enrichments

2reactome: GRB2 events in ERBB2 signaling2reactome: Signaling by Receptor Tyrosine Kinases2reactome: Signal Transduction2reactome: SHC1 events in ERBB2 signaling2reactome: Signaling by ERBB21reactome: TFAP2 (AP-2) family regulates transcription of growth factors and their receptors1reactome: Intracellular signaling by second messengers1biocarta: role of erbb2 in signal transduction and oncology1pid: a6b1 and a6b4 Integrin signaling1biocarta: trefoil factors initiate mucosal healing

Drug-gene GO enrichments

4MF: protein tyrosine kinase activity3CC: receptor complex3CC: plasma membrane2BP: transmembrane receptor protein tyrosine kinase signaling pathway2MF: transmembrane receptor protein tyrosine kinase activity2MF: transmembrane signaling receptor activity2MF: protein heterodimerization activity1CC: basal plasma membrane1CC: integral component of membrane1CC: endosome membrane

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
2064 ERBB2 1
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Gene in drug-gene network: Network Plot

quinoclaminequinoclaminePertuzumabPertuzumabNeratinibNeratinibcytochalasin.Bcytochalasin.Blapatinib in HER2-amplifiedlapatinib in HER2-amplifiedEverolimusEverolimusDacomitinibDacomitinibAfatnibAfatnibABT737ABT737FedratinibFedratinibERBB2 TKIsERBB2 TKIsNsc 632839Nsc 632839chaetocinchaetocinchemotherapychemotherapy179324-69-7179324-69-7Vorinostat (SAHA)Vorinostat (SAHA)BRD7137BRD7137PAC-1PAC-1Ado-trastuzumab emtansineAdo-trastuzumab emtansinetrastuzumab alonetrastuzumab aloneERBB2ERBB21166227-08-21166227-08-2

Models in 1166227-08-2

Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
AMP(ERBB2) gene 22802530 BREAST Breast Carcinoma A66 sensitivity in vivo
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