suvorexant
| SMILES | Cc1ccc(c(c1)C(=O)N1CCN(CC[C@H]1C)c1oc2c(n1)cc(cc2)Cl)n1nccn1 |
| InChIKey | JYTNQNCOQXFQPK-MRXNPFEDSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 450.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pKd | 7.99 | 8.12 | 8.22 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pIC50 | 6.8 | 6.8 | 6.8 | Guide to Pharmacology |
| LPA2 | LPAR2 | Human | Lysophospholipid (LPA) | A | pIC50 | 5.07 | 5.07 | 5.07 | ChEMBL |
| LPA1 | LPAR1 | Human | Lysophospholipid (LPA) | A | pIC50 | 6.8 | 6.8 | 6.8 | ChEMBL |