CHEMBL3911962
SMILES | Cc1cccc(C)c1Oc1ccc(C(=O)N(CCc2ccccc2)Cc2ccc(C(=O)O)cc2)cc1 |
InChIKey | XTKOCFGCADABCN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 479.2 |
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 |
LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pIC50 | 7.66 | 7.66 | 7.66 | ChEMBL |
LPA5 | LPAR5 | Human | Lysophospholipid (LPA) | A | pIC50 | 7.96 | 7.96 | 7.96 | ChEMBL |