CHEMBL3907299
SMILES | O=C(O)c1ccc(CN(CC2CC2)C(=O)c2ncc(Oc3ccccc3F)cn2)cc1 |
InChIKey | TXROCRKOYMGIGD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 421.1 |
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 | 6.46 | 6.46 | 6.46 | ChEMBL |
LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pIC50 | 6.27 | 6.27 | 6.27 | ChEMBL |