CHEMBL1190038
SMILES | CCSc1ccccc1NCC1=NCCN1 |
InChIKey | MZDQVKPPFWIZIL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 235.1 |
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 | 7.12 | 7.12 | 7.12 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.24 | 7.24 | 7.24 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.79 | 5.79 | 5.79 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.57 | 6.57 | 6.57 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.36 | 7.36 | 7.36 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.09 | 7.09 | 7.09 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1B | ADA1B | Human | Adrenoceptors | A | pEC50 | 7.86 | 7.86 | 7.86 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pEC50 | 7.29 | 7.29 | 7.29 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 7.55 | 7.55 | 7.55 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 8.47 | 8.47 | 8.47 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 6.6 | 6.6 | 6.6 | ChEMBL |