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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL37935
CHEMBL37935
Compound Name COLURACETAM
ChEMBL Synonyms COLURACETAM
Max Phase 0
Trade Names
Molecular Formula C19H23N3O3

Additional synonyms for CHEMBL37935 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1oc2nc3CCCCc3c(NC(=O)CN4CCCC4=O)c2c1C
Standard InChI InChI=1S/C19H23N3O3/c1-11-12(2)25-19-17(11)18(13-6-3-4-7-14( ...
Download InChI
Standard InChI Key PSPGQHXMUKWNDI-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL37935

Molecule Features

CHEMBL37935 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov COLURACETAM
The Cochrane Collaboration COLURACETAM

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 CHEMBL37935. 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
CHEMBL5763 Cholinesterase Equus caballus 1.000
CHEMBL4078 Acetylcholinesterase Electrophorus electricus 1.000
CHEMBL1914 Butyrylcholinesterase Homo sapiens 0.969
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.965
CHEMBL220 Acetylcholinesterase Homo sapiens 0.957
CHEMBL4780 Acetylcholinesterase Torpedo californica 0.907
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.868
CHEMBL2392 DNA polymerase beta Homo sapiens 0.378



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5763 Cholinesterase Equus caballus 0.995
CHEMBL4078 Acetylcholinesterase Electrophorus electricus 0.994
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.948
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.923
CHEMBL220 Acetylcholinesterase Homo sapiens 0.785
CHEMBL2392 DNA polymerase beta Homo sapiens 0.629
CHEMBL1914 Butyrylcholinesterase Homo sapiens 0.612
CHEMBL4780 Acetylcholinesterase Torpedo californica 0.464
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.206

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
341.4 341.1739 1.98 3 75.44 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.02 6.35 1.83 1.78 2 25 0.93

Structural Alerts

There are no structural alerts for CHEMBL37935

Compound Cross References

ChemSpider ChemSpider:PSPGQHXMUKWNDI-UHFFFAOYSA-N
Wikipedia Coluracetam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL37935



ACToR 135463-81-9
EPA CompTox Dashboard DTXSID60159386
FDA SRS V6FL6O5GR7
IBM Patent System 5FFF61557A9DF628BBBB70D4A2648322
MolPort MolPort-035-679-135
Nikkaji J609.493G
PubChem 214346
PubChem: Thomson Pharma 14875733
SureChEMBL SCHEMBL194780
ZINC ZINC000000004939

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