CHEMBL3818506
SMILES | COc1cccc(OC)c1-c1cc(C(=O)N[C@H](CC(=O)O)C2CCCCC2)nn1-c1ccc(F)cc1 |
InChIKey | VHQDBWUQVXLXFT-HXUWFJFHSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 495.2 |
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 |
apelin | APJ | Human | Apelin | A | pKi | 5.85 | 5.85 | 5.85 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NTS2 | NTR2 | Rat | Neurotensin | A | pEC50 | 6.46 | 6.46 | 6.46 | ChEMBL |
apelin | APJ | Human | Apelin | A | pEC50 | 5.0 | 5.0 | 5.0 | ChEMBL |