clemastine
SMILES | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C |
InChIKey | YNNUSGIPVFPVBX-NHCUHLMSSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 343.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
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 | 6.11 | 6.11 | 6.11 | ChEMBL |
OX2 | OX2R | Human | Orexin | A | pIC50 | 7.6 | 7.6 | 7.6 | ChEMBL |