Ki16425
| SMILES | OC(=O)CCSCc1ccc(cc1)c1onc(c1NC(=O)OC(c1ccccc1Cl)C)C |
| InChIKey | LLIFMNUXGDHTRO-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 474.1 |
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 | 5.25 | 5.25 | 5.25 | Guide to Pharmacology |
| LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pKi | 6.44 | 6.44 | 6.44 | Guide to Pharmacology |
| LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pKi | 6.83 | 6.83 | 6.83 | ChEMBL |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pKi | 6.37 | 6.37 | 6.37 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| LPA1 | LPAR1 | Mouse | Lysophospholipid (LPA) | A | pIC50 | 6.6 | 6.75 | 6.9 | Guide to Pharmacology |
| LPA2 | LPAR2 | Human | Lysophospholipid (LPA) | A | pIC50 | 5.92 | 5.92 | 5.92 | ChEMBL |
| LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pIC50 | 5.8 | 6.16 | 6.52 | ChEMBL |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pIC50 | 6.1 | 6.53 | 7.34 | ChEMBL |
| LPA1 | LPAR1 | Rat | Lysophospholipid (LPA) | A | pIC50 | 6.8 | 6.8 | 6.8 | ChEMBL |