Ligand Id: 52
Ligand name roxindole

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 39.26
Molecular weight 346.2
XLogP 5.67
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-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol
International Nonproprietary Names
INN number INN
6279 roxindole
Synonyms
3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol
rpxindole
Database Links
BindingDB Ligand 50002173
CAS Registry No. 112192-04-8 (source: ChEBI)
ChEBI CHEBI:48558
ChEMBL Ligand 211270
PubChem CID 219050
Search on ChemSpider HGEYJZMMUGWEOT-UHFFFAOYSA-N
Wikipedia Roxindole
ZINC ZINC01548439
iPHACE M5NLHT9P

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

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