loxiglumide   Click here for help

GtoPdb Ligand ID: 892

Synonyms: CR-1505
Compound class: Synthetic organic
Comment: The INN-assigned compound loxiglumide is a racemic mixture of two enantiomers. The structure shown here does not specifiy stereochemistry and represents the mixture.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 16
Topological polar surface area 95.94
Molecular weight 460.15
XLogP 4.07
No. Lipinski's rules broken 1
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Canonical SMILES CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC
Isomeric SMILES CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC
InChI InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[(3,4-dichlorobenzoyl)amino]-5-(3-methoxypropyl-pentylamino)-5-oxopentanoic acid
International Nonproprietary Names Click here for help
INN number INN
6113 loxiglumide
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand loxiglumide
Other databases
BindingDB Ligand 50185261
CAS Registry No. 107097-80-3 (source: Scifinder)
ChEMBL Ligand CHEMBL206025
DrugCentral Ligand 1614
GtoPdb PubChem SID 135650534
PubChem CID 60182
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UniChem Compound Search for chemical match using the InChIKey QNQZBKQEIFTHFZ-UHFFFAOYSA-N
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Loxiglumide (links to external site)
Cat. No. 3036