proglumide   Click here for help

GtoPdb Ligand ID: 893

Synonyms: W-5219
Compound class: Synthetic organic
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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 12
Topological polar surface area 86.71
Molecular weight 334.19
XLogP 2.3
No. Lipinski's rules broken 0
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Canonical SMILES CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC
Isomeric SMILES CCCN(C(=O)C(NC(=O)c1ccccc1)CCC(=O)O)CCC
InChI InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-(benzoylamino)-5-(dipropylamino)-5-oxopentanoic acid
International Nonproprietary Names Click here for help
INN number INN
2161 proglumide
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand proglumide
Other databases
BindingDB Ligand 50014888
CAS Registry No. 6620-60-6 (source: Scifinder)
ChEBI CHEBI:253476
ChEMBL Ligand CHEMBL316561
DrugCentral Ligand 2281
GtoPdb PubChem SID 135650854
PubChem CID 4922
Search Google for chemical match using the InChIKey DGMKFQYCZXERLX-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey DGMKFQYCZXERLX-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey DGMKFQYCZXERLX-UHFFFAOYSA-N
Wikipedia Proglumide