CHEMBL4294617
SMILES | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2cccc3sccc23)CC1 |
InChIKey | PAZJLCGVFVMKKH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 439.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 |
H1 | HRH1 | Human | Histamine | A | pIC50 | 6.52 | 6.52 | 6.52 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 6.43 | 6.43 | 6.43 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 6.4 | 6.4 | 6.4 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 7.54 | 7.54 | 7.54 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 8.11 | 8.11 | 8.11 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 7.61 | 7.61 | 7.61 | ChEMBL |