ML-246


SMILES N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2ncn1[C@H]1CC[C@H](O)CC1
InChIKey WSMXAUJFLWRPNT-DIVCQZSQSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 474.2

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 5.49 5.49 5.49 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.92 5.92 5.92 ChEMBL
H1 HRH1 Human Histamine A pKi 5.45 5.45 5.45 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database