CHEMBL156661
SMILES | c1cnc(-c2ccccc2NCC2=NCCN2)nc1 |
InChIKey | CMDSTJSCXRZEFV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 253.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1B | ADA1B | Human | Adrenoceptors | A | pIC50 | 5.66 | 5.66 | 5.66 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pEC50 | 7.11 | 7.11 | 7.11 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 6.38 | 6.38 | 6.38 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pEC50 | 7.09 | 7.09 | 7.09 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 6.72 | 6.72 | 6.72 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 8.0 | 8.0 | 8.0 | ChEMBL |