CHEMBL1875956


SMILES C/C=C(\C)C(=O)OC1[C@H](OC(C)=O)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O[C@@H]5O[C@H](C(=O)O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@](C)(CO)C4CCC3(C)[C@]1(C)C[C@H]2O
InChIKey AXNVHPCVMSNXNP-YSYFQUGBSA-N

Chemical properties

Hydrogen bond acceptors 23
Hydrogen bond donors 13
Rotatable bonds 14
Molecular weight (Da) 1130.6

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR5 CXCR5 Human Chemokine A pIC50 5.02 5.02 5.02 ChEMBL
CCR6 CCR6 Human Chemokine A pIC50 5.11 5.11 5.11 ChEMBL
apelin APJ Human Apelin A pIC50 5.04 5.04 5.04 ChEMBL