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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1095699
CHEMBL1095699
Compound Name AZASERINE
ChEMBL Synonyms CL 337 | AZASERINE | P-165 | CN-15,757
Max Phase 0
Trade Names
Molecular Formula C5H7N3O4

Additional synonyms for CHEMBL1095699 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](COC(=O)C=[N+]=[N-])C(=O)O
Standard InChI InChI=1S/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h1,3H,2,6H2,(H ...
Download InChI
Standard InChI Key MZZGOOYMKKIOOX-VKHMYHEASA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1095699

Molecule Features

CHEMBL1095699 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov AZASERINE
The Cochrane Collaboration AZASERINE

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 CHEMBL1095699. 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
CHEMBL2919 Glutamate receptor ionotropic kainate 1 Rattus norvegicus 1.000
CHEMBL1918 Glutamate receptor ionotropic kainate 1 Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.993
CHEMBL5689 Tryptophan 5-hydroxylase 1 Homo sapiens 0.975
CHEMBL2787 Metabotropic glutamate receptor 4 Rattus norvegicus 0.968
CHEMBL2857 Human rhinovirus A protease Human rhinovirus sp. 0.951
CHEMBL3753 Glutamate receptor ionotropic, AMPA 1 Rattus norvegicus 0.949
CHEMBL3683 Glutamate receptor ionotropic kainate 2 Homo sapiens 0.888
CHEMBL2009 Glutamate receptor ionotropic, AMPA 1 Homo sapiens 0.863
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 0.646
CHEMBL5605 Mitogen-activated protein kinase kinase kinase 7-interacting protein 1 Homo sapiens 0.575
CHEMBL2424 Glyoxalase I Homo sapiens 0.553
CHEMBL1907 Aminopeptidase N Homo sapiens 0.516
CHEMBL5098 Glutamate carboxypeptidase II Rattus norvegicus 0.480
CHEMBL3190 Glutamate receptor ionotropic, AMPA 4 Homo sapiens 0.461
CHEMBL4016 Glutamate receptor ionotropic, AMPA 2 Homo sapiens 0.451
CHEMBL4779 Papain Carica papaya 0.363
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.355
CHEMBL3607 Glutamate receptor ionotropic kainate 2 Rattus norvegicus 0.334
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.320



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3744 Glutamate receptor ionotropic kainate 3 Rattus norvegicus 1.000
CHEMBL2919 Glutamate receptor ionotropic kainate 1 Rattus norvegicus 1.000
CHEMBL2721 Excitatory amino acid transporter 3 Homo sapiens 0.999
CHEMBL4973 Excitatory amino acid transporter 2 Homo sapiens 0.999
CHEMBL3683 Glutamate receptor ionotropic kainate 2 Homo sapiens 0.996
CHEMBL3503 Glutamate receptor ionotropic, AMPA 2 Rattus norvegicus 0.996
CHEMBL2787 Metabotropic glutamate receptor 4 Rattus norvegicus 0.994
CHEMBL4573 Metabotropic glutamate receptor 6 Homo sapiens 0.993
CHEMBL1918 Glutamate receptor ionotropic kainate 1 Homo sapiens 0.988
CHEMBL3195 Glycine transporter 2 Rattus norvegicus 0.982
CHEMBL3753 Glutamate receptor ionotropic, AMPA 1 Rattus norvegicus 0.972
CHEMBL3607 Glutamate receptor ionotropic kainate 2 Rattus norvegicus 0.939
CHEMBL3965 Leucine aminopeptidase Homo sapiens 0.926
CHEMBL5043 Endoplasmic reticulum aminopeptidase 2 Homo sapiens 0.898
CHEMBL3085 Excitatory amino acid transporter 1 Homo sapiens 0.893
CHEMBL2424 Glyoxalase I Homo sapiens 0.843
CHEMBL1907 Aminopeptidase N Homo sapiens 0.758
CHEMBL2693 Cystinyl aminopeptidase Homo sapiens 0.725
CHEMBL5689 Tryptophan 5-hydroxylase 1 Homo sapiens 0.703
CHEMBL5098 Glutamate carboxypeptidase II Rattus norvegicus 0.694

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
173.1 173.0437 -1.76 4 126.02 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.51 - 0 12 0.23

Structural Alerts

There are 13 structural alerts for CHEMBL1095699. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MZZGOOYMKKIOOX-VKHMYHEASA-N
PubChem SID: 144204384 SID: 144213209 SID: 170466537 SID: 26751472 SID: 855642
Wikipedia Azaserine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1095699



ACToR 115-02-6
Brenda 30291 4536 59049 1861 30290
ChEBI 74846
eMolecules 478957
EPA CompTox Dashboard DTXSID9020118
FDA SRS 87299V3Q9W
IBM Patent System D59CE0CF4E58037DAF15EF5471EA0BDD
KEGG Ligand C19194
Metabolights MTBLC74846
MolPort MolPort-003-925-966
Nikkaji J2.894K
PDBe AZS
PubChem: Thomson Pharma 15066734
SureChEMBL SCHEMBL8861
ZINC ZINC000003977741

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