CHEMBL4214992
SMILES | COC(=O)Cc1ccc(OC[C@@H](O)CN2CCN(c3cc(C)ccc3C)CC2)cc1 |
InChIKey | OANREMIQEOYENB-NRFANRHFSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 412.2 |
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 |
α1D | ADA1D | Rat | Adrenoceptors | A | pKd | 7.81 | 7.81 | 7.81 | ChEMBL |
α1B | ADA1B | Rat | Adrenoceptors | A | pKd | 6.57 | 6.57 | 6.57 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 7.52 | 7.52 | 7.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |