CHEMBL5967237
| SMILES | Cn1ncc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cn2)c1Nc1cncc(OC2CC2)n1 |
| InChIKey | LGXMMPNFLWGPJD-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 468.2 |
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 |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pKi | 7.9 | 7.9 | 7.9 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pIC50 | 5.36 | 5.36 | 5.36 | ChEMBL |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pIC50 | 8.01 | 8.01 | 8.01 | ChEMBL |