fulvestrant
SMILES | O=S(CCCC(C(F)(F)F)(F)F)CCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@@H]2[C@@H]1[C@@H]1CC[C@@H]([C@]1(CC2)C)O |
InChIKey | VWUXBMIQPBEWFH-WCCTWKNTSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 14 |
Molecular weight (Da) | 606.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
apelin | APJ | Human | Apelin | A | pKi | 10.15 | 10.15 | 10.15 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
apelin | APJ | Human | Apelin | A | pEC50 | 10.22 | 10.22 | 10.22 | Guide to Pharmacology |
apelin | APJ | Human | Apelin | A | pEC50 | 10.22 | 10.22 | 10.22 | ChEMBL |