CHEMBL72753


SMILES Clc1c(NC2=NCCN2)ccc2nccnc12
InChIKey VJQWCCBDYLTRPZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 1
Molecular weight (Da) 247.1

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 4.98 4.98 4.98 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.62 5.62 5.62 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 7.16 7.16 7.16 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.71 6.71 6.71 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.29 5.29 5.29 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.43 7.43 7.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2B ADA2B Human Adrenoceptors A pEC50 6.76 6.76 6.76 ChEMBL
α2C ADA2C Human Adrenoceptors A pEC50 7.51 7.51 7.51 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 8.63 8.63 8.63 ChEMBL