CHEMBL325745
SMILES | CCCNC(=O)c1ccccc1NCc1c[nH]cn1 |
InChIKey | JFEAROLAZKGICP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 6 |
Molecular weight (Da) | 258.1 |
Drug properties
Molecular type | Small molecule |
Physiological/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 | 5.52 | 5.52 | 5.52 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pEC50 | 6.5 | 6.5 | 6.5 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 6.06 | 6.06 | 6.06 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pEC50 | 7.1 | 7.1 | 7.1 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 7.11 | 7.11 | 7.11 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 8.4 | 8.4 | 8.4 | ChEMBL |