CHEMBL1643798
SMILES | COc1ccc(S(=O)(=O)N(C)[C@@H]2CCc3c(CC(=O)O)c4ccccc4n3C2)cc1 |
InChIKey | FABSXONIHXZYLC-OAHLLOKOSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 428.1 |
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 |
DP1 | PD2R | Human | Prostanoid | A | pKi | 7.58 | 7.58 | 7.58 | ChEMBL |
DP2 | PD2R2 | Human | Prostanoid | A | pKi | 8.36 | 8.36 | 8.36 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
DP2 | PD2R2 | Human | Prostanoid | A | pIC50 | 8.26 | 8.26 | 8.26 | ChEMBL |