CHEMBL2414358
SMILES | Clc1ccc(-n2cc(CCCCCN3CCN(c4ccccc4)CC3)cn2)cc1 |
InChIKey | MKRMGDJUMMLQKR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 8 |
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 |
α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 6.42 | 6.42 | 6.42 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.31 | 6.31 | 6.31 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.93 | 5.93 | 5.93 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.11 | 5.11 | 5.11 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |