CCPA
SMILES | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2NC1CCCC1 |
InChIKey | XSMYYYQVWPZWIZ-IDTAVKCVSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 4 |
Rotatable bonds | 4 |
Molecular weight (Da) | 369.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Ligand site mutations | A1 |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
FFA1 | FFAR1 | Human | Free fatty acid | A | pKd | 8.72 | 8.72 | 8.72 | ChEMBL |
FFA1 | FFAR1 | Human | Free fatty acid | A | pKi | 7.38 | 8.02 | 8.66 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
FFA1 | FFAR1 | Human | Free fatty acid | A | pEC50 | 8.5 | 8.5 | 8.5 | Guide to Pharmacology |
FFA1 | FFAR1 | Human | Free fatty acid | A | pEC50 | 5.06 | 7.42 | 8.89 | ChEMBL |
FFA1 | FFAR1 | Mouse | Free fatty acid | A | pEC50 | 7.89 | 8.36 | 8.82 | ChEMBL |
FFA1 | FFAR1 | Rat | Free fatty acid | A | pEC50 | 7.64 | 8.06 | 8.49 | ChEMBL |