iGMDRD716

Canonical SMILES: COc1ccccc1c2cccc(c2)c3nc(cc4CN([C@@H](CCO)c34)[S@@](=O)C(C)(C)C)C(=O)NCc5ccncc5

InChI: InChI=1S/C33H36N4O4S/c1-33(2,3)42(40)37-21-25-19-27(32(39)35-20-22-12-15-34-16-13-22)36-31(30(25)28(37)14-17-38)24-9-7-8-23(18-24)26-10-5-6-11-29(26)41-4/h5-13,15-16,18-19,28,38H,14,17,20-21H2,1-4H3,(H,35,39)/t28-,42-/m0/s1

InChI Key: VTKOTAQLGFRVGB-PJVIOAIDSA-N

Drug-model tissue-cancer distribution: Bubble Plot

Drug-gene pathway enrichments

Drug-gene GO enrichments