CHEMBL1185036
SMILES | COc1ccc2ccccc2c1OCCNC[C@H]1COc2cc3c(cc2O1)CCCC3 |
InChIKey | YCHPAWYLSNTMMD-NRFANRHFSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 419.2 |
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 |
α1D | ADA1D | Rat | Adrenoceptors | A | pKd | 5.59 | 5.59 | 5.59 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 7.37 | 7.68 | 7.98 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.83 | 6.83 | 6.83 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.18 | 7.18 | 7.18 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.77 | 5.77 | 5.77 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.43 | 6.43 | 6.43 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |