CHEMBL3892847
SMILES | CCCCCC(O)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 |
InChIKey | NGKFLYGSJDSBQC-QSVWIEALSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 11 |
Molecular weight (Da) | 431.2 |
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 | Human | Prostanoid | A | pKi | 6.94 | 6.94 | 6.94 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
DP1 | PD2R | Human | Prostanoid | A | pEC50 | 5.49 | 5.49 | 5.49 | ChEMBL |
EP2 | PE2R2 | Human | Prostanoid | A | pEC50 | 8.1 | 8.46 | 8.82 | ChEMBL |
EP3 | PE2R3 | Human | Prostanoid | A | pEC50 | 6.82 | 6.82 | 6.82 | ChEMBL |