CHEMBL2036322
SMILES | O=C(O)c1csc(SCCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(-c3cc4ccccc4o3)c2)n1 |
InChIKey | PWCLBJYOGZNYIQ-PCBIHFGQSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 534.1 |
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 |
EP1 | PE2R1 | Mouse | Prostanoid | A | pKi | 5.57 | 5.57 | 5.57 | ChEMBL |
EP4 | PE2R4 | Mouse | Prostanoid | A | pKi | 9.92 | 9.92 | 9.92 | ChEMBL |
EP3 | PE2R3 | Mouse | Prostanoid | A | pKi | 5.77 | 5.77 | 5.77 | ChEMBL |
EP2 | PE2R2 | Mouse | Prostanoid | A | pKi | 8.68 | 8.68 | 8.68 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP2 | PE2R2 | Rat | Prostanoid | A | pEC50 | 5.82 | 5.82 | 5.82 | ChEMBL |
EP4 | PE2R4 | Rat | Prostanoid | A | pEC50 | 8.28 | 8.28 | 8.28 | ChEMBL |