CHEMBL64878
SMILES | COc1ccccc1N1CCN(CCCCc2ccc3nc(O)sc3c2)CC1 |
InChIKey | SQRYTINGRXASNH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 397.2 |
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 |
5-HT2A | 5HT2A | Bovine | 5-Hydroxytryptamine | A | pIC50 | 6.82 | 6.82 | 6.82 | ChEMBL |
α1A | ADA1A | Bovine | Adrenoceptors | A | pIC50 | 9.09 | 9.09 | 9.09 | ChEMBL |
D2 | DRD2 | Bovine | Dopamine | A | pIC50 | 9.11 | 9.11 | 9.11 | ChEMBL |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 6.7 | 6.7 | 6.7 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 6.5 | 6.5 | 6.5 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 9.7 | 9.7 | 9.7 | ChEMBL |