CHEMBL1929528
SMILES | COCc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCSCCCC(=O)O)c1 |
InChIKey | DBMUFNHYHPYPAN-FGCACJFISA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 13 |
Molecular weight (Da) | 420.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP2 | PE2R2 | Mouse | Prostanoid | A | pKi | 6.33 | 6.33 | 6.33 | ChEMBL |
EP3 | PE2R3 | Mouse | Prostanoid | A | pKi | 6.72 | 6.72 | 6.72 | ChEMBL |
EP4 | PE2R4 | Mouse | Prostanoid | A | pKi | 8.62 | 8.62 | 8.62 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP4 | PE2R4 | Rat | Prostanoid | A | pEC50 | 8.96 | 8.96 | 8.96 | ChEMBL |