CHEMBL378376
SMILES | O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1 |
InChIKey | JYZXGURJKNAFPT-ZWKOTPCHSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 469.2 |
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 |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP2 | PE2R2 | Rat | Prostanoid | A | pIC50 | 6.32 | 6.32 | 6.32 | ChEMBL |
EP4 | PE2R4 | Rat | Prostanoid | A | pIC50 | 8.22 | 8.22 | 8.22 | ChEMBL |
EP4 | PE2R4 | Rat | Prostanoid | A | pEC50 | 9.3 | 9.3 | 9.3 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pIC50 | 8.7 | 8.7 | 8.7 | ChEMBL |