CHEMBL72995


SMILES CC1CN=C(Nc2ccc3nccnc3c2Br)N1
InChIKey XBTUHMKOYJCXOJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 1
Molecular weight (Da) 305.0

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
α2B ADA2B Human Adrenoceptors A pKi 5.49 5.49 5.49 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.19 6.19 6.19 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.3 5.3 5.3 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.42 5.42 5.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2C ADA2C Human Adrenoceptors A pEC50 6.08 6.08 6.08 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 4.8 4.8 4.8 ChEMBL