CHEMBL6143563
| SMILES | C[C@@H](OC(=O)Nc1c(-c2ccc(NC(=O)c3cnc(C(F)(F)F)nc3)cn2)nnn1C)c1cc(F)cnc1F |
| InChIKey | VHSVUMBZCLBMNY-SNVBAGLBSA-N |
Chemical properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 549.1 |
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 |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pKi | 7.22 | 7.22 | 7.22 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| LPA2 | LPAR2 | Human | Lysophospholipid (LPA) | A | pEC50 | 5.59 | 5.59 | 5.59 | ChEMBL |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pEC50 | 6.87 | 7.46 | 8.1 | ChEMBL |