CHEMBL231184
SMILES | Cc1ccc(-n2c(C)ccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1C(=O)O |
InChIKey | YNGYDYOYWOAUDY-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 449.1 |
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 |
TP | TA2R | Human | Prostanoid | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
EP1 | PE2R1 | Human | Prostanoid | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
EP3 | PE2R3 | Human | Prostanoid | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 5.1 | 5.15 | 5.2 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
TP | TA2R | Human | Prostanoid | A | pIC50 | 7.4 | 7.4 | 7.4 | ChEMBL |
EP1 | PE2R1 | Human | Prostanoid | A | pIC50 | 8.3 | 8.3 | 8.3 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pIC50 | 4.8 | 4.8 | 4.8 | ChEMBL |