Ligand Id: 2640
Ligand name AGN193109

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 37.3
Molecular weight 392.18
XLogP 12.52
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
4-[2-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid
Synonyms
4-[2-[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]ethynyl]benzoic acid
4-[2-(5,6-dihydro-5,5-dimethyl-8-p-tolylnaphthalen-2-yl)ethynyl]benzoic acid
AGN 193109
Database Links
BindingDB Ligand 50029774
ChEBI CHEBI:339179
ChEMBL Ligand 339179
NURSA Ligand 883
PubChem CID 177238
Search on ChemSpider NCEQLLNVRRTCKJ-UHFFFAOYSA-N
ZINC ZINC01543482

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

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