CHEMBL2112774
SMILES | COc1cccc(C2CCC(NCCOc3ccccn3)CC2)c1 |
InChIKey | QEJVHQDLWUVNET-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 326.2 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.48 | 6.48 | 6.48 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.85 | 6.85 | 6.85 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.11 | 6.17 | 6.23 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.43 | 7.1 | 7.77 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.42 | 8.42 | 8.42 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |