CHEMBL4756711
SMILES | CC[C@](C)(O)c1nc([C@@H]2CC[C@@H](C)N(C(=O)c3cscc3-n3nccn3)C2)oc1C |
InChIKey | QIFHYQSASFBJSW-VWLHBSKXSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 429.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
OX1 | OX1R | Human | Orexin | A | pIC50 | 5.01 | 5.01 | 5.01 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pIC50 | 7.75 | 7.75 | 7.75 | ChEMBL |