CHEMBL80730
SMILES | COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(-c3ccccc3)nn(C)c2=O)CC1 |
InChIKey | KSGSACNIXHZDNP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 489.3 |
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 |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.99 | 7.99 | 7.99 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.74 | 9.74 | 9.74 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 9.19 | 9.19 | 9.19 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 9.37 | 9.37 | 9.37 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |