CHEMBL3955284
SMILES | O=C(O)c1ccc(CN(C[C@@H](O)Cc2ccccc2)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1 |
InChIKey | HWJQFBVAJFHIFS-VWLOTQADSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 499.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
LPA5 | LPAR5 | Human | Lysophospholipid (LPA) | A | pIC50 | 8.05 | 8.05 | 8.05 | ChEMBL |
LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pIC50 | 8.15 | 8.15 | 8.15 | ChEMBL |