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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1220
CHEMBL1220
Compound Name TINIDAZOLE
ChEMBL Synonyms CP-12574 | Fasigyn | Tindamax | Symplotan | Trimonase | Tinidazole
Max Phase 4 (Approved)
Trade Names Fasigyn | Tindamax | Symplotan | Trimonase | Tinidazole
Molecular Formula C8H13N3O4S

Additional synonyms for CHEMBL1220 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-]
Standard InChI InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12) ...
Download InChI
Standard InChI Key HJLSLZFTEKNLFI-UHFFFAOYSA-N

Mechanism of Action

Mechanism of Action ChEMBL Target References
DNA inhibitor DNA DailyMed

Molecule Features

CHEMBL1220 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:Y Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 4 structural alerts for CHEMBL1220. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1220

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 CHEMBL1220. 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
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.897
CHEMBL2392 DNA polymerase beta Homo sapiens 0.724
CHEMBL247 Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1 0.687
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.681
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.630
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.627
CHEMBL5514 Huntingtin Homo sapiens 0.504
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.500
CHEMBL3242 Carbonic anhydrase XII Homo sapiens 0.445
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.397
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.274



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.790
CHEMBL247 Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1 0.749
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.700
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.500
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.358
CHEMBL5514 Huntingtin Homo sapiens 0.328
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.297
CHEMBL5500 Histone acetyltransferase PCAF Homo sapiens 0.288
CHEMBL4143 Calpain 2 Sus scrofa 0.212

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
247.3 247.0627 0.15 5 106.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 7 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.3 -.29 -.29 1 16 0.54

Compound Cross References

ATC P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 - ANTIPROTOZOALS
P01A - AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
P01AB - Nitroimidazole derivatives
P01AB02 - tinidazole

J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01X - OTHER ANTIBACTERIALS
J01XD - Imidazole derivatives
J01XD02 - tinidazole

ChemSpider ChemSpider:HJLSLZFTEKNLFI-UHFFFAOYSA-N
DailyMed tinidazole
PubChem SID: 11112651 SID: 144204137 SID: 56422390 SID: 855690
Wikipedia Tinidazole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1220



ACToR 19387-91-8
ChEBI 63627
DrugBank DB00911
eMolecules 594781
FDA SRS 033KF7V46H
Human Metabolome Database HMDB15047
IBM Patent System 0814EBFDF53FA0FB1E996C14DA424F32
IBM Patents EP1851314A2 US20070010700 US20040077601 EP1911481A2 WO2010088261A1 US20080070303 US20060073207 US20040167062 EP1165048A1 WO2008138658A2 WO1997044063A2 WO2009086483A2 WO1993020812A1 US7345076 US20100304998 US20080194010 EP2255785A2 EP2111482A2 WO1999036570A2 EP0923577A2 US20100055201 US20070065466 US6342250 WO2004078921A2 WO2008103045A1 WO1995008332A1 EP0403048A2 WO2009146209A1 WO1997029735A1 EP1753418A2 US5441957 WO2010039531A1 US20100305500 WO2007114881A1 WO2000040599A1 US20080200976 WO2009040818A1 US20070071835 WO2007139955A2 WO2010080580A2 US20080220441 US20090155307 EP1731142A1 EP0293947B1 US6080757 US5629297 EP2136815A1 WO2006052899A2 WO2006134111A1 EP1979366A2 US20100130542 EP1089745B1 WO2010065135A1 WO2006128100A3 US20090221529 WO2006035431A2 WO2010046663A2 US20100273728 WO2010089341A1 EP2108359A1 WO2003039418A1 EP2155167A2 EP0227173A2 WO2008112199A1 US6162809 WO2008122596A2 WO2010017264A2 US20030118517 US5968903 WO2010034344A1 EP1610768B1 WO1995007071A1 WO2006113505A2 US20090220604 WO2008127291A2 EP0865286B1 WO2008039615A2 US6107312 WO2004087052A2 US6710033 EP1553956A2 WO2010076033A1 WO2006114323A2 WO2006029192A1 WO2008097640A2 EP1423376A1 WO2005070006A2 US20060052438 EP1534823A2 US20090171263 WO2008130261A1 EP1926714A1 EP1422228A1 US20100273864 WO2003024430A1 US20030212114 EP1802282A1 WO2006074114A2 EP1895989A2 EP2018872A1
LINCS LSM-5948
Mcule MCULE-2580495783
MolPort MolPort-006-819-596
NIH Clinical Collection SAM001246913
PubChem 5479
PubChem: Thomson Pharma 15221112
Selleck tinidazole
SureChEMBL SCHEMBL21141
ZINC ZINC00113446

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