CHEMBL450018
SMILES | CCN(C)C(=O)c1ccccc1NCC1=NCCN1 |
InChIKey | MJGIIZLIKBMVQO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 260.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1B | ADA1B | Human | Adrenoceptors | A | pIC50 | 4.98 | 4.98 | 4.98 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pEC50 | 6.6 | 6.6 | 6.6 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 5.17 | 5.17 | 5.17 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pEC50 | 6.2 | 6.2 | 6.2 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 5.69 | 5.69 | 5.69 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 7.3 | 7.3 | 7.3 | ChEMBL |