lorglumide   Click here for help

GtoPdb Ligand ID: 891

Synonyms: CR-1409
Compound class: Synthetic organic
Comment: The INN-assigned compound is a racemic mixture of two enantiomers. The structure shown here does not specify 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 6
Hydrogen bond donors 2
Rotatable bonds 16
Topological polar surface area 86.71
Molecular weight 458.17
XLogP 5.82
No. Lipinski's rules broken 2
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Canonical SMILES CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCCC
Isomeric SMILES CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCCC
InChI InChI=1S/C22H32Cl2N2O4/c1-3-5-7-13-26(14-8-6-4-2)22(30)19(11-12-20(27)28)25-21(29)16-9-10-17(23)18(24)15-16/h9-10,15,19H,3-8,11-14H2,1-2H3,(H,25,29)(H,27,28)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[(3,4-dichlorobenzoyl)amino]-5-(dipentylamino)-5-oxopentanoic acid
International Nonproprietary Names Click here for help
INN number INN
5961 lorglumide
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand lorglumide
Other databases
BindingDB Ligand 50008170
CAS Registry No. 97964-56-2 (source: Scifinder)
ChEMBL Ligand CHEMBL24938
GtoPdb PubChem SID 135650531
PubChem CID 3960
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UniChem Compound Search for chemical match using the InChIKey IEKOTSCYBBDIJC-UHFFFAOYSA-N
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Wikipedia Lorglumide