CHEMBL295001


SMILES CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccc(F)cc3F)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1
InChIKey RLMGUPUESXPDFJ-HXUWFJFHSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 528.2

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 Human Adrenoceptors A pKi 6.23 6.23 6.23 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.28 6.28 6.28 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.7 5.7 5.7 ChEMBL
H1 HRH1 Human Histamine A pKi 6.97 6.97 6.97 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.0 9.0 9.0 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.71 5.71 5.71 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.09 6.09 6.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database