CHEMBL1643790
SMILES | O=C(O)Cc1c2n(c3ccccc13)C[C@H](N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1)CC2 |
InChIKey | OELVPGVSMLPSGD-OAHLLOKOSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 484.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
DP1 | PD2R | Human | Prostanoid | A | pKi | 7.81 | 7.81 | 7.81 | ChEMBL |
DP2 | PD2R2 | Human | Prostanoid | A | pKi | 8.43 | 8.43 | 8.43 | ChEMBL |
TP | TA2R | Human | Prostanoid | A | pKi | 5.87 | 5.87 | 5.87 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
DP2 | PD2R2 | Human | Prostanoid | A | pIC50 | 8.16 | 8.16 | 8.16 | ChEMBL |