DOCETAXEL


SMILES CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C
InChIKey ZDZOTLJHXYCWBA-VCVYQWHSSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 5
Rotatable bonds 8
Molecular weight (Da) 807.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Human Tachykinin A pKi 6.28 6.28 6.28 ChEMBL
NK2 NK2R Human Tachykinin A pKi 8.2 8.2 8.2 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GHRH GHRHR Human Glucagon B1 pIC50 9.85 9.85 9.85 ChEMBL
NK2 NK2R Human Tachykinin A pIC50 5.81 5.81 5.81 ChEMBL
GHRH GHRHR Human Glucagon B1 pIC50 8.01 8.01 8.01 Drug Central