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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL284718
CHEMBL284718
Compound Name PIDOLIC ACID
ChEMBL Synonyms Pidolic Acid
Max Phase 0
Trade Names
Molecular Formula C5H7NO3

Additional synonyms for CHEMBL284718 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C1CCC(=O)N1
Standard InChI InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8, ...
Download InChI
Standard InChI Key ODHCTXKNWHHXJC-UHFFFAOYSA-N

Molecule Features

CHEMBL284718 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are no structural alerts for CHEMBL284718

Alternate Forms of Compound in ChEMBL


CHEMBL284718

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
129.1 129.0426 -0.75 1 66.4 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.48 - -1.35 -4.88 0 9 0.49

Compound Cross References

ChemSpider ChemSpider:ODHCTXKNWHHXJC-UHFFFAOYSA-N
PubChem SID: 50086852
Wikipedia Pyroglutamic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL284718



ACToR 98-79-3
ChEBI 16010
eMolecules 495412
Guide to Pharmacology 4703
Human Metabolome Database HMDB60262 HMDB00805
IBM Patent System 2F99EDC3BFBF2B1BAB6C6B6AA7335B5B
IBM Patents EP1913004B1 US20100228015 US20080076781 EP0564277B1 WO1999054053A1 WO2005111676A1 WO2009051618A1 US7125444 EP1870088A2 EP0921136B1 US20100221203 EP1117635A1 US20100226943 US20080175887 US20020119174 EP2066321A2 US20090162305 WO2010142656A1 US6894012 WO2008081095A2 EP1320754B1 EP1414393B1 WO2003057713A2 WO2010134206A1 WO2006032668A1 EP2211825A1 US20010031245 US20050287104 US4666902 WO2008115776A1 WO2006102439A2 WO2003072746A2 EP1682499B1 EP0633766A1 WO1989009247A1 US7669720 US7232847 EP0398669A2 EP2205320A1 US20070059258 EP0344922B1 EP1750695B1 US20080317824 US20090111887 WO2001022806A1 EP0962537A2 WO2006097348A1 WO2001000213A1 WO2006121610A2 WO2006062847A2 EP2008108B1 US20100272677 US5352387 US6214374 US20100092409 US5618798 EP2086602A2 US20080171794 US20080262085 EP1093336A1 EP1419764B1 US20030216393 WO2006096617A2 US6391901 US20100204341 US6211193 WO2008144394A2 WO2010059838A2 WO2006044174A2 EP1952843A1 US4871743 EP1259213B1 US20080114057 US20090130076 WO2010068788A1 EP0422803A3 US20050054649 US7718404 EP2024423A2 EP0918746A1 WO2006024184A1 US4590069 EP1816998B1 US5965146 US20090312369 WO2006102674A2 WO2001098302A1 EP2241342A2 US20100021423 EP0442701B1 WO2000049996A2 US20060252790 EP1784393B1 US4078071 US20020045643 US20070219291 WO2009032122A1 EP1493336A2 US6191168 WO2002094212A1
Mcule MCULE-4175874303
MolPort MolPort-001-791-750
Nikkaji J36.868G
NMRShiftDB 20031175
PubChem 499
PubChem: Thomson Pharma 14747636
SureChEMBL SCHEMBL15791

UniChem REST Service Call: https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/ODHCTXKNWHHXJC-UHFFFAOYSA-N spacer
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