CHEMBL2036323
SMILES | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3nc4ccccc4o3)c2)n1 |
InChIKey | PNAPUQSCDLKDBJ-BJIJGURPSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 535.1 |
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 | 7.55 | 7.55 | 7.55 | ChEMBL |
EP4 | PE2R4 | Mouse | Prostanoid | A | pKi | 9.92 | 9.92 | 9.92 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP2 | PE2R2 | Rat | Prostanoid | A | pEC50 | 5.8 | 5.8 | 5.8 | ChEMBL |
EP4 | PE2R4 | Rat | Prostanoid | A | pEC50 | 8.66 | 8.66 | 8.66 | ChEMBL |