iGMDRD448

Canonical SMILES: CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)NC

InChI: InChI=1S/C39H67N5O7/c1-13-25(6)34(43(10)39(49)33(24(4)5)42-38(48)32(40-9)23(2)3)30(50-11)22-31(45)44-21-17-20-29(44)36(51-12)26(7)37(47)41-27(8)35(46)28-18-15-14-16-19-28/h14-16,18-19,23-27,29-30,32-36,40,46H,13,17,20-22H2,1-12H3,(H,41,47)(H,42,48)/t25-,26+,27+,29-,30+,32-,33-,34-,35+,36+/m0/s1

InChI Key: DASWEROEPLKSEI-UIJRFTGLSA-N

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Standard Name
Pubchem CID
Drug Status
Drug Type
Standard NameMonomethyl auristatin E
Pubchem CID11542200
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

1smpdb: Etoposide Action Pathway1smpdb: Etoposide Metabolism Pathway1smpdb: Lamivudine Metabolism Pathway1smpdb: Vinorelbine Action Pathway1smpdb: Vindesine Action Pathway1smpdb: Vinblastine Action Pathway1smpdb: Vincristine Action Pathway1reactome: Metabolism1reactome: Recycling of bile acids and salts1reactome: Metabolism of steroids

Drug-gene GO enrichments

2MF: ATPase activity, coupled to transmembrane movement of substances2CC: membrane2BP: transmembrane transport1BP: bile acid and bile salt transport1BP: canalicular bile acid transport1BP: ATP hydrolysis coupled anion transmembrane transport1CC: vacuolar membrane1MF: organic anion transmembrane transporter activity1MF: bile acid-exporting ATPase activity1MF: ATPase-coupled anion transmembrane transporter activity

Drug-Gene: Aster Plot


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Gene ID
Gene Name
Model Num.
8714 ABCC3 1
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Gene in drug-gene network: Network Plot

Models in Monomethyl auristatin E

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Model
Level
Reference ID
Tissue
Cancer
Drug
Clinical Response
Source
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