CHEMBL49395
SMILES | c1cnc2cc(NC3=NCCN3)ccc2n1 |
InChIKey | PVKUNRLEOHFACD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 1 |
Molecular weight (Da) | 213.1 |
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 |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.49 | 5.49 | 5.49 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 4.91 | 4.91 | 4.91 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.85 | 5.85 | 5.85 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 4.74 | 4.74 | 4.74 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.51 | 6.51 | 6.51 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |