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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL36633
CHEMBL36633
Compound Name OXIRACETAM
ChEMBL Synonyms CGP 21690E | OXIRACETAM | GNF-Pf-1005
Max Phase 0
Trade Names
Molecular Formula C6H10N2O3

Additional synonyms for CHEMBL36633 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)CN1CC(O)CC1=O
Standard InChI InChI=1S/C6H10N2O3/c7-5(10)3-8-2-4(9)1-6(8)11/h4,9H,1-3H2,(H ...
Download InChI
Standard InChI Key IHLAQQPQKRMGSS-UHFFFAOYSA-N

Sources

  • Novartis Malaria Screening
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL36633

Molecule Features

CHEMBL36633 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

ClinicalTrials.gov OXIRACETAM
The Cochrane Collaboration OXIRACETAM

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL36633. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.365
CHEMBL233 Mu opioid receptor Homo sapiens 0.221

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4354 Mu opioid receptor Cavia porcellus 0.580
CHEMBL233 Mu opioid receptor Homo sapiens 0.344
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.342

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
158.2 158.0691 -2.14 2 83.63 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.77 - -2.48 -2.48 0 11 0.48

Structural Alerts

There are no structural alerts for CHEMBL36633

Compound Cross References

ATC N - NERVOUS SYSTEM
N06 - PSYCHOANALEPTICS
N06B - PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
N06BX - Other psychostimulants and nootropics
N06BX07 - oxiracetam

ChemSpider ChemSpider:IHLAQQPQKRMGSS-UHFFFAOYSA-N
PubChem SID: 50106803 SID: 85231168 SID: 90341150
Wikipedia Oxiracetam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL36633



ACToR 62613-82-5 68567-97-5
ChEBI 134788
DrugCentral 2021
eMolecules 592923
EPA CompTox Dashboard DTXSID9045180
IBM Patent System F9F2ECAF560DE2BAD9366E69AB8E3BEF
Mcule MCULE-8223030209
MolPort MolPort-003-904-263
Nikkaji J19.582K
PubChem 4626
PubChem: Drugs of the Future 12012841
PubChem: Thomson Pharma 15321708
SureChEMBL SCHEMBL526050

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