CHEMBL286565
SMILES | COc1cccc(OC)c1OCCNC[C@H]1Oc2ccccc2O[C@@H]1c1ccc(C)cc1 |
InChIKey | UNHGFWKSHHCRHF-JWQCQUIFSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 435.2 |
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 |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 8.08 | 8.08 | 8.08 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 6.72 | 6.72 | 6.72 | ChEMBL |
α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 6.11 | 6.11 | 6.11 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.71 | 6.71 | 6.71 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 7.39 | 7.39 | 7.39 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.08 | 6.08 | 6.08 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |