CHEMBL3946661
SMILES | c1ccc(OC[C@@H]2CN(CCN3CCc4ccccc43)CCO2)cc1 |
InChIKey | ZKTUDHGKQCWRDH-FQEVSTJZSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 338.2 |
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 |
α1A | ADA1A | Mouse | Adrenoceptors | A | pKi | 5.57 | 5.57 | 5.57 | ChEMBL |
α1B | ADA1B | Mouse | Adrenoceptors | A | pKi | 5.14 | 5.14 | 5.14 | ChEMBL |
D3 | DRD3 | Mouse | Dopamine | A | pKi | 5.55 | 5.55 | 5.55 | ChEMBL |
α1D | ADA1D | Mouse | Adrenoceptors | A | pKi | 5.64 | 5.64 | 5.64 | ChEMBL |
5-HT2C | 5HT2C | Mouse | 5-Hydroxytryptamine | A | pKi | 5.17 | 5.17 | 5.17 | ChEMBL |
5-HT1D | 5HT1D | Mouse | 5-Hydroxytryptamine | A | pKi | 6.23 | 6.23 | 6.23 | ChEMBL |
D1 | DRD1 | Mouse | Dopamine | A | pKi | 5.87 | 5.87 | 5.87 | ChEMBL |
5-HT1A | 5HT1A | Mouse | 5-Hydroxytryptamine | A | pKi | 9.22 | 9.22 | 9.22 | ChEMBL |
D2 | DRD2 | Mouse | Dopamine | A | pKi | 6.47 | 6.47 | 6.47 | ChEMBL |
D4 | DRD4 | Mouse | Dopamine | A | pKi | 6.88 | 6.88 | 6.88 | ChEMBL |
5-HT7 | 5HT7R | Mouse | 5-Hydroxytryptamine | A | pKi | 6.33 | 6.33 | 6.33 | ChEMBL |
5-HT2A | 5HT2A | Mouse | 5-Hydroxytryptamine | A | pKi | 6.09 | 6.09 | 6.09 | ChEMBL |
5-HT2B | 5HT2B | Mouse | 5-Hydroxytryptamine | A | pKi | 5.84 | 5.84 | 5.84 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |