Detailed information for compound 924333

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 350.823 | Formula: C15H15ClN4O2S
  • H donors: 0 H acceptors: 1 LogP: 4 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1nnc2n(c1=O)nc(s2)COc1ccc(cc1)Cl)(C)C
  • InChi: 1S/C15H15ClN4O2S/c1-15(2,3)12-13(21)20-14(18-17-12)23-11(19-20)8-22-10-6-4-9(16)5-7-10/h4-7H,8H2,1-3H3
  • InChiKey: HCTJFMROUTYTNW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0027 0.0163 0.0163
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0033 0.0259 0.0918
Plasmodium falciparum FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0039 0.0349 0.6511
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase GlpD2 0.0039 0.0349 0.0438
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0021 0.0076 0.0076
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0152 0.207 1
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0471 0.6938 1
Chlamydia trachomatis D-amino acid dehydrogenase 0.0039 0.0349 1
Echinococcus granulosus lamin 0.0026 0.015 0.015
Echinococcus multilocularis synaptic glycoprotein sc2 0.0021 0.0076 0.0076
Schistosoma mansoni microtubule-associated protein tau 0.0671 1 1
Echinococcus granulosus intermediate filament protein 0.0026 0.015 0.015
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0049 0.0495 0.0495
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0291 0.1404
Echinococcus multilocularis geminin 0.0165 0.2267 0.2267
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0034 0.0271 0.1311
Echinococcus granulosus expressed protein 0.0034 0.0271 0.0271
Mycobacterium tuberculosis Possible thiamine biosynthesis oxidoreductase ThiO 0.0039 0.0349 0.0479
Echinococcus granulosus glycerol 3 phosphate dehydrogenase 0.0039 0.0349 0.0349
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0021 0.0076 0.0076
Echinococcus granulosus geminin 0.0165 0.2267 0.2267
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0432 0.6339 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0495 0.0713
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0152 0.207 1
Plasmodium falciparum eukaryotic initiation factor 4A 0.0049 0.0495 1
Schistosoma mansoni fad oxidoreductase 0.0039 0.0349 0.0349
Echinococcus granulosus FAD dependent oxidoreductase domain containing protein 0.0039 0.0349 0.0349
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0299 0.0299
Onchocerca volvulus Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog 0.0039 0.0349 0.6511
Echinococcus multilocularis nmda type glutamate receptor 0.0027 0.0163 0.0163
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0299 0.1117
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 20 0.0039 0.0349 0.1368
Brugia malayi dimethylglycine dehydrogenase, mitochondrial precursor, putative 0.0039 0.0349 0.1684
Onchocerca volvulus Putative fad oxidoreductase 0.0039 0.0349 0.6511
Loa Loa (eye worm) hypothetical protein 0.0036 0.0299 0.0431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0299 0.1117
Loa Loa (eye worm) hypothetical protein 0.0039 0.0349 0.0503
Schistosoma mansoni intermediate filament proteins 0.0026 0.015 0.015
Brugia malayi Synaptic glycoprotein SC2 0.0021 0.0076 0.0367
Schistosoma mansoni hypothetical protein 0.0035 0.0291 0.0291
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.015 0.0216
Schistosoma mansoni hypothetical protein 0.0165 0.2267 0.2267
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0049 0.0495 1
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0152 0.207 1
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0152 0.207 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.0299 0.0299
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0039 0.0349 0.1368
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0039 0.0349 0.1368
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0049 0.0495 0.21
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0299 0.0299
Entamoeba histolytica anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative 0.0039 0.0349 0.1368
Schistosoma mansoni hypothetical protein 0.0165 0.2267 0.2267
Loa Loa (eye worm) hypothetical protein 0.0026 0.015 0.0216
Schistosoma mansoni NAD dehydrogenase 0.0039 0.0349 0.0349
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0049 0.0495 0.0495
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.0299 0.022
Echinococcus multilocularis FAD dependent oxidoreductase domain containing protein 0.0039 0.0349 0.0349
Toxoplasma gondii FAD-dependent glycerol-3-phosphate dehydrogenase 0.0039 0.0349 0.1368
Brugia malayi intermediate filament protein 0.0026 0.015 0.0725
Schistosoma mansoni glycerol-3-phosphate dehydrogenase 0.0039 0.0349 0.0349
Trypanosoma brucei glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial 0.0039 0.0349 0.1368
Loa Loa (eye worm) hypothetical protein 0.0021 0.0076 0.011
Echinococcus granulosus lamin dm0 0.0026 0.015 0.015
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0471 0.6938 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0049 0.0495 0.0495
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0271 0.0979
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0039 0.0349 0.1368
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0541 0.2613
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.0299 0.1443
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0152 0.207 1
Leishmania major glycerol-3-phosphate dehydrogenase-like protein 0.0039 0.0349 0.0495
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0299 0.1117
Loa Loa (eye worm) hypothetical protein 0.0021 0.0076 0.011
Brugia malayi eukaryotic initiation factor 4A 0.0049 0.0495 0.239
Loa Loa (eye worm) hypothetical protein 0.0039 0.0349 0.0503
Onchocerca volvulus 0.0026 0.015 0.177
Onchocerca volvulus Dimethylglycine dehydrogenase, mitochondrial homolog 0.0039 0.0349 0.6511
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0152 0.207 1
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0049 0.0495 0.0495
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0152 0.207 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0049 0.0495 0.21
Trypanosoma brucei electron transfer flavoprotein-ubiquinone oxidoreductase, putative 0.0039 0.0349 0.1368
Echinococcus multilocularis lamin dm0 0.0026 0.015 0.015
Brugia malayi pyruvate dehydrogenase phosphatase regulatory subunit precursor 0.0039 0.0349 0.1684
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0049 0.0495 0.0711
Echinococcus multilocularis musashi 0.0026 0.015 0.015
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.0299 0.1117
Loa Loa (eye worm) hypothetical protein 0.0026 0.0143 0.0206
Brugia malayi cDNA sequence BC016226 0.0039 0.0349 0.1684
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase, putative 0.0039 0.0349 0.1368
Leishmania major hypothetical protein, conserved 0.0039 0.0349 0.0495
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0021 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0035 0.0291 0.0419
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.0299 0.0299
Leishmania major eukaryotic initiation factor 4a, putative 0.0049 0.0495 0.1302
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0049 0.0495 0.0495
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0039 0.0349 0.6511
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0299 0.1117
Plasmodium vivax RNA helicase-1, putative 0.0049 0.0495 1
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0152 0.207 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0299 0.0299
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0152 0.207 1
Schistosoma mansoni fad oxidoreductase 0.0039 0.0349 0.0349
Onchocerca volvulus 0.0026 0.015 0.177
Loa Loa (eye worm) hypothetical protein 0.0152 0.207 0.2984
Trichomonas vaginalis rotamase, putative 0.0033 0.0259 0.0918
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0049 0.0495 0.21
Plasmodium vivax FAD-dependent glycerol-3-phosphate dehydrogenase, putative 0.0039 0.0349 0.6511
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.0299 0.532
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0152 0.207 1
Trypanosoma brucei FAD dependent oxidoreductase, putative 0.0039 0.0349 0.1368
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0039 0.0349 0.1368
Loa Loa (eye worm) hypothetical protein 0.0052 0.0541 0.078
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0259 0.0918
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.0299 0.0299
Mycobacterium ulcerans glycerol-3-phosphate dehydrogenase 0.0039 0.0349 0.0438
Echinococcus granulosus eukaryotic initiation factor 4A 0.0049 0.0495 0.0495
Treponema pallidum ATP-dependent RNA helicase 0.0049 0.0495 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0541 0.2613
Schistosoma mansoni lamin 0.0026 0.015 0.015
Echinococcus multilocularis microtubule associated protein 2 0.0671 1 1
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0049 0.0495 0.21
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0049 0.0495 0.21
Mycobacterium ulcerans thiamine biosynthesis oxidoreductase ThiO 0.0039 0.0349 0.0438
Toxoplasma gondii peptidylprolyl isomerase 0.0033 0.0259 0.0918
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0299 0.0299
Schistosoma mansoni d-amino acid oxidase 0.0471 0.6938 0.6938
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0049 0.0495 0.21
Mycobacterium ulcerans hypothetical protein 0.0152 0.207 0.2936
Brugia malayi RE18450p 0.0039 0.0349 0.1684
Trypanosoma cruzi FAD dependent oxidoreductase, putative 0.0039 0.0349 0.1368
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0049 0.0495 0.21
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0033 0.0259 0.0918
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0034 0.0271 0.0391
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0039 0.0349 0.0438
Loa Loa (eye worm) glycerol-3-phosphate dehydrogenase 0.0039 0.0349 0.0503
Schistosoma mansoni rotamase 0.0034 0.0271 0.0271
Echinococcus multilocularis lamin 0.0026 0.015 0.015
Schistosoma mansoni ATP:guanidino kinase (Smc74) 0.0039 0.0349 0.0349
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.0471 0.6938 1
Leishmania major hypothetical protein, conserved 0.0039 0.0349 0.0495
Toxoplasma gondii hypothetical protein 0.0039 0.0349 0.1368
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0299 0.1117
Echinococcus multilocularis expressed protein 0.0034 0.0271 0.0271
Loa Loa (eye worm) hypothetical protein 0.0039 0.0349 0.0503
Echinococcus granulosus synaptic glycoprotein sc2 0.0021 0.0076 0.0076
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0049 0.0495 0.21
Loa Loa (eye worm) intermediate filament protein 0.0026 0.015 0.0216
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0299 0.1117
Leishmania major eukaryotic initiation factor 4a, putative 0.0049 0.0495 0.1302
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0541 0.078
Trypanosoma cruzi glycerol-3-phosphate dehydrogenase (FAD-dependent), putative 0.0039 0.0349 0.1368
Schistosoma mansoni lamin 0.0026 0.015 0.015
Trypanosoma brucei L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0039 0.0349 0.1368
Trypanosoma cruzi L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative 0.0039 0.0349 0.1368
Echinococcus granulosus nmda type glutamate receptor 0.0027 0.0163 0.0163
Echinococcus multilocularis glycerol 3 phosphate dehydrogenase 0.0039 0.0349 0.0349
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.015 0.0725
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0021 0.0076 0.0076
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0033 0.0259 0.0918
Trichomonas vaginalis rotamase, putative 0.0034 0.0271 0.0979
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0049 0.0495 1

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) = 13.9 mm Antibacterial activity against Escherichia coli MTCC-725 assessed as zone of inhibition at 1 ug/ml ChEMBL. 25019476

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.