CHEMBL1195368
SMILES | CCCS(=O)(=O)c1ccccc1NCC1=NCCN1 |
InChIKey | DURATMICCIEKQS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 281.1 |
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 | 6.08 | 6.08 | 6.08 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.86 | 5.86 | 5.86 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.58 | 5.58 | 5.58 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 5.66 | 5.66 | 5.66 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |