Ligand Id: 3311
Ligand name L-isoleucine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 63.32
Molecular weight 131.09
XLogP -1.6
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
Approved drug? Yes (source: DrugBank)
DrugBank groups approved; nutraceutical
IUPAC Name
(2S,3S)-2-Amino-3-methylpentanoic acid
International Nonproprietary Names
INN number INN
6164 isoleucine
Synonyms
L-Ile
Database Links
CAS Registry No. 73-32-5 (source: Scifinder)
DrugBank Ligand DB00167
Human Metabolome Database HMDB00172
Search on ChemSpider AGPKZVBTJJNPAG-WHFBIAKZSA-N
Wikipedia Isoleucine
ZINC ZINC03581355

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