CHEMBL64187
SMILES | CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(=O)O |
InChIKey | IXCUJFRBJKGYEX-KIQRJQQFSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 13 |
Molecular weight (Da) | 372.2 |
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 |
EP1 | PE2R1 | Mouse | Prostanoid | A | pKi | 7.28 | 7.28 | 7.28 | ChEMBL |
EP2 | PE2R2 | Mouse | Prostanoid | A | pKi | 7.12 | 7.12 | 7.12 | ChEMBL |
EP4 | PE2R4 | Mouse | Prostanoid | A | pKi | 9.3 | 9.3 | 9.3 | ChEMBL |
EP3 | PE2R3 | Mouse | Prostanoid | A | pKi | 8.72 | 8.72 | 8.72 | ChEMBL |
IP | PI2R | Human | Prostanoid | A | pKi | 6.12 | 6.12 | 6.12 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP4 | PE2R4 | Mouse | Prostanoid | A | pEC50 | 8.44 | 8.44 | 8.44 | ChEMBL |