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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 | CN-15,757 | P-165 | AZASERINE
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
CHEMBL5689 Tryptophan 5-hydroxylase 1 Homo sapiens 0.999
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.983
CHEMBL2857 Human rhinovirus A protease Human rhinovirus sp. 0.973
CHEMBL3683 Glutamate receptor ionotropic kainate 2 Homo sapiens 0.915
CHEMBL2009 Glutamate receptor ionotropic, AMPA 1 Homo sapiens 0.903
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 0.749
CHEMBL1907 Aminopeptidase N Homo sapiens 0.742
CHEMBL2424 Glyoxalase I Homo sapiens 0.677
CHEMBL3753 Glutamate receptor ionotropic, AMPA 1 Rattus norvegicus 0.539
CHEMBL2590 Aminopeptidase N Sus scrofa 0.523
CHEMBL4779 Papain Carica papaya 0.438
CHEMBL2288 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Homo sapiens 0.396
CHEMBL3607 Glutamate receptor ionotropic kainate 2 Rattus norvegicus 0.296
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.286
CHEMBL2552 Carboxypeptidase B Homo sapiens 0.242
CHEMBL5098 Glutamate carboxypeptidase II Rattus norvegicus 0.228



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 1.000
CHEMBL4973 Excitatory amino acid transporter 2 Homo sapiens 0.999
CHEMBL5689 Tryptophan 5-hydroxylase 1 Homo sapiens 0.998
CHEMBL3683 Glutamate receptor ionotropic kainate 2 Homo sapiens 0.998
CHEMBL1918 Glutamate receptor ionotropic kainate 1 Homo sapiens 0.992
CHEMBL3965 Leucine aminopeptidase Homo sapiens 0.947
CHEMBL3607 Glutamate receptor ionotropic kainate 2 Rattus norvegicus 0.944
CHEMBL1907 Aminopeptidase N Homo sapiens 0.930
CHEMBL3085 Excitatory amino acid transporter 1 Homo sapiens 0.832
CHEMBL2693 Cystinyl aminopeptidase Homo sapiens 0.814
CHEMBL2009 Glutamate receptor ionotropic, AMPA 1 Homo sapiens 0.809
CHEMBL2424 Glyoxalase I Homo sapiens 0.803
CHEMBL3753 Glutamate receptor ionotropic, AMPA 1 Rattus norvegicus 0.737
CHEMBL4662 Proteasome Macropain subunit MB1 Homo sapiens 0.463
CHEMBL2590 Aminopeptidase N Sus scrofa 0.451
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.355
CHEMBL2072 Sodium channel protein type IV alpha subunit Homo sapiens 0.352
CHEMBL3250 Lysophosphatidic acid receptor Edg-7 Homo sapiens 0.349

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
173.1 173.0437 -3.43 5 127.01 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 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 0.19

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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