CHEMBL385126
SMILES | CC(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3 |
InChIKey | YYAWOSLKARYYMV-CQSZACIVSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 399.1 |
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 |
IP | PI2R | Human | Prostanoid | A | pKi | 4.85 | 4.85 | 4.85 | ChEMBL |
DP1 | PD2R | Human | Prostanoid | A | pKi | 8.96 | 8.96 | 8.96 | ChEMBL |
EP2 | PE2R2 | Human | Prostanoid | A | pKi | 6.51 | 6.51 | 6.51 | ChEMBL |
EP3 | PE2R3 | Human | Prostanoid | A | pKi | 5.92 | 5.92 | 5.92 | ChEMBL |
TP | TA2R | Human | Prostanoid | A | pKi | 7.85 | 7.85 | 7.85 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
DP1 | PD2R | Human | Prostanoid | A | pIC50 | 7.82 | 8.68 | 9.54 | ChEMBL |
TP | TA2R | Human | Prostanoid | A | pIC50 | 5.85 | 5.85 | 5.85 | ChEMBL |