CHEMBL4288391
SMILES | CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)cc2)C3)cc(OCC)c1-c1ccc(F)cc1 |
InChIKey | BLQCUVNVAODGCA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 546.3 |
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 |
DP1 | PD2R | Human | Prostanoid | A | pIC50 | 5.52 | 5.52 | 5.52 | ChEMBL |
SST5 | SSR5 | Human | Somatostatin | A | pIC50 | 8.92 | 8.94 | 8.96 | ChEMBL |
SST5 | SSR5 | Mouse | Somatostatin | A | pIC50 | 8.68 | 8.93 | 9.05 | ChEMBL |