CHEMBL3621965
SMILES | CC(OC(=O)Nc1cnoc1-c1ccc(CSCC(=O)O)cc1)c1ccccc1Cl |
InChIKey | SQQWLSJDCOCUFE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 446.1 |
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 |
LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pIC50 | 5.64 | 5.64 | 5.64 | ChEMBL |
LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pIC50 | 6.89 | 6.89 | 6.89 | ChEMBL |