CHEMBL1188479
SMILES | O=C(O)COc1cccc(CN2CCC[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 |
InChIKey | WVTUDMXKOFCUFN-XMMPIXPASA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 454.2 |
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 |
IP | PI2R | Human | Prostanoid | A | pKi | 7.12 | 7.12 | 7.12 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
IP | PI2R | Human | Prostanoid | A | pIC50 | 7.32 | 7.32 | 7.32 | ChEMBL |
IP | PI2R | Rat | Prostanoid | A | pIC50 | 6.16 | 6.16 | 6.16 | ChEMBL |