iGMDRD117

Canonical SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O

InChI: InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1

InChI Key: ZDZOTLJHXYCWBA-VCVYQWHSSA-N

Standard NameCHEMBLPubchem CIDKEGG Drug IDDRUGBANK IDDrug StatusDrug targets (TTD)Drug Type
DocetaxelCHEMBL92 CHEMBL3545252 148124D07866DB01248AloneDAP000590Small Molecule




Drug-model tissue-cancer distribution: Bubble Plot

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot


Gene IDGene NameModel Num.
7514XPO11
9077DIRAS31
2956MSH61
3845KRAS6
8289ARID1A1
64783RBM151
5159PDGFRB1
4851NOTCH11
7852CXCR41
25937WWTR11
2064ERBB22
6850SYK1
10413YAP11
1029CDKN2A1
7157TP532
3673ITGA21
6714SRC1
6794STK114
3791KDR1
4086SMAD11
3481IGF21
6934TCF7L21
4089SMAD42
672BRCA11
1978EIF4EBP11
1956EGFR4
54206ERRFI11
7515XRCC11
673BRAF1
613253DEFA1A31
3485IGFBP21
7301TYRO31
1938EEF21
84617TUBB61
5728PTEN2
1869E2F11
3429IFI271
2067ERCC11
100862685ERVK-191
5054SERPINE11
4893NRAS1
2065ERBB31
1857DVL31
374AREG1
595CCND11
94ACVRL11
2621GAS61
1803DPP42
5624PROC1

Gene in drug-gene network: Network Plot

Models in Docetaxel

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