CHEMBL5836982
| SMILES | CC(C)c1cncc(Nc2c(-c3ncc(-c4ccc(C5(C(=O)O)CC5)cc4)cn3)cnn2C)n1 |
| InChIKey | LLZJBRCDXQKHNK-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 455.2 |
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 | 7.61 | 7.61 | 7.61 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| LPA3 | LPAR3 | Human | Lysophospholipid (LPA) | A | pIC50 | 5.63 | 5.63 | 5.63 | ChEMBL |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pIC50 | 7.62 | 7.62 | 7.62 | ChEMBL |