CHEMBL1962870
SMILES | COc1ccccc1N1CCN(CC2CCC(c3ccccc3)(c3ccccc3)O2)CC1 |
InChIKey | DKZVZJLNJPUMKG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 428.2 |
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 | 8.05 | 8.05 | 8.05 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.41 | 8.41 | 8.41 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.19 | 9.19 | 9.19 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.36 | 8.36 | 8.36 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
TAAR5 | TAAR5 | Mouse | A orphans | A | pIC50 | 5.32 | 5.32 | 5.32 | ChEMBL |