7α-F-ginkgolide B


SMILES O=C1O[C@@H]2[C@@](C1C)(O)[C@]13C4(C2O)C(OC3=O)C(C(C24C(O1)OC(=O)[C@@H]2O)C(C)(C)C)F
InChIKey NKHCTSYWTBHOAK-UUSFTXJGSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 0
Molecular weight (Da) 442.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR4 CCR4 Human Chemokine A pKd 6.2 6.2 6.2 ChEMBL
CCR4 CCR4 Human Chemokine A pKi 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR4 CCR4 Human Chemokine A pIC50 7.83 7.83 7.83 Guide to Pharmacology
CCR5 CCR5 Human Chemokine A pIC50 5.2 5.2 5.2 Guide to Pharmacology
CCR4 CCR4 Human Chemokine A pIC50 7.4 7.62 7.83 ChEMBL
CCR5 CCR5 Human Chemokine A pIC50 5.2 5.2 5.2 ChEMBL