Ligand Id: 888
Ligand name YM-022

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 90.87
Molecular weight 516.22
XLogP 9.47
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
IUPAC Name
3-(3-methylphenyl)-1-[(3R)-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
Synonyms
1-(2,3-Dihydro-1-(2'-methylphenacyl)-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-3-(3-methylphenyl)urea
3-(3-methylphenyl)-1-[(3R)-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
(R)-1-(2,3-dihydro-1-[2'-methylphenacyl]-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-3-(3-methylphenyl)urea
YM022
Database Links
BindingDB Ligand 50056101
ChEBI CHEBI:288650
ChEMBL Ligand 288650, 357839
PubChem CID 122130
Search on ChemSpider YCXFHPUBGMMWJQ-PMERELPUSA-N
ZINC ZINC03786250
iPHACE 8D1DN1TP

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org