CHEMBL519002
| SMILES | O=C(O)/C=C/C(=O)Nc1cccc(NC(=O)/C=C/C(=O)O)c1 |
| InChIKey | SKDIMRRKRVTENP-YDFGWWAZSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 304.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| LPA2 | LPAR2 | Human | Lysophospholipid (LPA) | A | pKi | 7.68 | 7.68 | 7.68 | ChEMBL |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pKi | 7.3 | 7.3 | 7.3 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| LPA2 | LPAR2 | Human | Lysophospholipid (LPA) | A | pIC50 | 7.66 | 7.66 | 7.66 | ChEMBL |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pIC50 | 6.66 | 6.66 | 6.66 | ChEMBL |