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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL134920
CHEMBL134920
Compound Name AZANIDAZOLE
ChEMBL Synonyms AZANIDAZOLE
Max Phase 0
Trade Names
Molecular Formula C10H10N6O2

Additional synonyms for CHEMBL134920 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1c(\C=C\c2ccnc(N)n2)ncc1[N+](=O)[O-]
Standard InChI InChI=1S/C10H10N6O2/c1-15-8(13-6-9(15)16(17)18)3-2-7-4-5-12- ...
Download InChI
Standard InChI Key LHIALLMPKJMSIQ-NSCUHMNNSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL134920

Molecule Features

CHEMBL134920 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 AZANIDAZOLE
The Cochrane Collaboration AZANIDAZOLE

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 CHEMBL134920. 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
CHEMBL5508 Dual specificity tyrosine-phosphorylation-regulated kinase 1A Rattus norvegicus 0.989
CHEMBL5443 Cell division cycle 7-related protein kinase Homo sapiens 0.841
CHEMBL3357 Interleukin-1 receptor-associated kinase 1 Homo sapiens 0.820
CHEMBL2828 Casein kinase I delta Homo sapiens 0.657
CHEMBL2627 Dihydrofolate reductase type 1 Escherichia coli 0.642
CHEMBL4179 c-Jun N-terminal kinase 2 Homo sapiens 0.592
CHEMBL4575 Dual-specificity tyrosine-phosphorylation regulated kinase 3 Homo sapiens 0.539
CHEMBL4224 Dual specificty protein kinase CLK1 Homo sapiens 0.507
CHEMBL2850 Glycogen synthase kinase-3 alpha Homo sapiens 0.218



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5508 Dual specificity tyrosine-phosphorylation-regulated kinase 1A Rattus norvegicus 0.838
CHEMBL2736 Metabotropic glutamate receptor 4 Homo sapiens 0.596
CHEMBL5443 Cell division cycle 7-related protein kinase Homo sapiens 0.593
CHEMBL3357 Interleukin-1 receptor-associated kinase 1 Homo sapiens 0.552
CHEMBL2828 Casein kinase I delta Homo sapiens 0.429
CHEMBL3831 MAP/microtubule affinity-regulating kinase 2 Homo sapiens 0.324
CHEMBL2543 Casein kinase I gamma 2 Homo sapiens 0.306
CHEMBL3880 Heat shock protein HSP 90-alpha Homo sapiens 0.260
CHEMBL4179 c-Jun N-terminal kinase 2 Homo sapiens 0.247
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.241
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 0.230
CHEMBL2627 Dihydrofolate reductase type 1 Escherichia coli 0.215
CHEMBL2850 Glycogen synthase kinase-3 alpha Homo sapiens 0.207

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
246.2 246.0865 0.76 3 115.43 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 3.43 .16 .16 2 18 0.63

Structural Alerts

There are 6 structural alerts for CHEMBL134920. To view alerts please click here.

Compound Cross References

ATC G - GENITO URINARY SYSTEM AND SEX HORMONES
G01 - GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
G01A - ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
G01AF - Imidazole derivatives
G01AF13 - azanidazole

P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 - ANTIPROTOZOALS
P01A - AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
P01AB - Nitroimidazole derivatives
P01AB04 - azanidazole

ChemSpider ChemSpider:LHIALLMPKJMSIQ-NSCUHMNNSA-N
Wikipedia Azanidazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL134920



ACToR 62973-76-6
ChEBI 135001
DrugCentral 264
EPA CompTox Dashboard DTXSID40212180
FDA SRS YP2Y0DRX4S
PubChem 6436171
PubChem: Thomson Pharma 14749707
SureChEMBL SCHEMBL668406

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