CHEMBL3138992
SMILES | C[C@H](NC(=O)[C@H]1CCCCN1CCOc1ccccc1)c1ccc(C(=O)O)cc1 |
InChIKey | ADSVKUMNMQPBKC-LAUBAEHRSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 396.2 |
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 |
EP2 | PE2R2 | Human | Prostanoid | A | pKi | 5.81 | 5.85 | 5.92 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 7.27 | 7.31 | 7.39 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP4 | PE2R4 | Rat | Prostanoid | A | pIC50 | 7.82 | 7.82 | 7.82 | ChEMBL |
EP2 | PE2R2 | Human | Prostanoid | A | pIC50 | 5.79 | 5.79 | 5.79 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pIC50 | 6.9 | 7.48 | 8.25 | ChEMBL |