CHEMBL4083333
SMILES | Cc1nc2n(c(=O)c1CCN1CCN(c3cccc4sccc34)CC1)CCCC2 |
InChIKey | XMFRRROSDAWYLB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
Molecular weight (Da) | 408.2 |
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 |
H1 | HRH1 | Human | Histamine | A | pIC50 | 6.9 | 6.9 | 6.9 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 6.81 | 6.81 | 6.81 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 7.38 | 7.38 | 7.38 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 8.92 | 8.92 | 8.92 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 8.34 | 8.34 | 8.34 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 8.58 | 8.58 | 8.58 | ChEMBL |