grapiprant
SMILES | CCc1nc2c(n1c1ccc(cc1)CCNC(=O)NS(=O)(=O)c1ccc(cc1)C)cc(nc2C)C |
InChIKey | HZVLFTCYCLXTGV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 491.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 7.89 | 7.89 | 7.89 | Guide to Pharmacology |
EP4 | Q9TU16 | Dog | Prostanoid | A | pKi | 7.62 | 7.62 | 7.62 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 6.35 | 6.86 | 7.89 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pKd | 8.32 | 8.32 | 8.32 | ChEMBL |
EP4 | PE2R4 | Rat | Prostanoid | A | pKd | 8.19 | 8.19 | 8.19 | ChEMBL |
EP4 | PE2R4 | Rat | Prostanoid | A | pKi | 7.7 | 7.7 | 7.7 | ChEMBL |
EP4 | PE2R4 | Mouse | Prostanoid | A | pKd | 8.11 | 8.11 | 8.11 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP4 | PE2R4 | Human | Prostanoid | A | pIC50 | 5.79 | 6.65 | 7.93 | ChEMBL |