Ligand Id: 1691
Ligand name J-113397

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 47.02
Molecular weight 399.29
XLogP 5.07
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
1-[(3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one
Synonyms
1-[(3r,4r)-1-cyclooctylmethyl-3-hydroxymethyl-4-piperidyl]-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one
1-[(3R,4R)-1-cyclooctylmethyl-3-hydroxymethyl-4-piperidyl]-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one
J113397
Database Links
BindingDB Ligand 50083230
ChEMBL Ligand 345652, 345683
PubChem CID 5311194
Search on ChemSpider MBGVUMXBUGIIBQ-LEWJYISDSA-N
Wikipedia J-113,397
ZINC ZINC01483900

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

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