CHEMBL1221498
SMILES | COc1ccccc1N1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1 |
InChIKey | VUQFQRNHGGYQGK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 389.2 |
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 |
D3 | DRD3 | Rat | Dopamine | A | pKi | 6.95 | 6.95 | 6.95 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.77 | 8.77 | 8.77 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.63 | 8.63 | 8.63 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.05 | 6.05 | 6.05 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |