CHEMBL1643786
SMILES | CCN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 |
InChIKey | NIZANMQTGOOGPX-MRXNPFEDSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 430.1 |
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 |
DP1 | PD2R | Human | Prostanoid | A | pKi | 7.84 | 7.84 | 7.84 | ChEMBL |
DP2 | PD2R2 | Human | Prostanoid | A | pKi | 8.74 | 8.74 | 8.74 | ChEMBL |
TP | TA2R | Human | Prostanoid | A | pKi | 5.67 | 5.67 | 5.67 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
DP2 | PD2R2 | Human | Prostanoid | A | pIC50 | 8.09 | 8.09 | 8.09 | ChEMBL |