CHEMBL357669
SMILES | COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3cccc(CN)c3)nc(N)c2cc1OC |
InChIKey | NKJBCMUSAUNZIV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 12 |
Molecular weight (Da) | 480.3 |
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 |
α1D | ADA1D | Rat | Adrenoceptors | A | pKd | 8.69 | 8.69 | 8.69 | ChEMBL |
α1B | ADA1B | Rat | Adrenoceptors | A | pKd | 8.61 | 8.61 | 8.61 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 7.32 | 7.32 | 7.32 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |