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 |