Detailed information for compound 1074452

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 365.861 | Formula: C14H12ClN5OS2
  • H donors: 2 H acceptors: 3 LogP: 2.97 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(=S)sc2c1ncnc2NC(=O)Nc1ccccc1Cl
  • InChi: 1S/C14H12ClN5OS2/c1-2-20-12-10(23-14(20)22)11(16-7-17-12)19-13(21)18-9-6-4-3-5-8(9)15/h3-7H,2H2,1H3,(H2,16,17,18,19,21)
  • InChiKey: CZRICZICIXPKMG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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
Giardia lamblia Kinase, PLK 0.0207 0.2603 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0159 0.3775
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0085 0.0064
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0085 0.0064
Brugia malayi RNA binding protein 0.0139 0.1675 0.5843
Trichomonas vaginalis CAMK family protein kinase 0.0207 0.2603 0.7803
Echinococcus multilocularis geminin 0.0187 0.2331 0.2314
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.0669 0.2335
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0085 0.0064
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0085 0.0064
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0085 0.0298
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0027 0.0154 0.0447
Loa Loa (eye worm) hypothetical protein 0.0022 0.0085 0.0298
Trichomonas vaginalis CAMK family protein kinase 0.0207 0.2603 0.7803
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0085 0.0298
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0085 0.0064
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0185 0.0646
Echinococcus multilocularis lamin 0.0029 0.0185 0.0164
Brugia malayi jmjC domain containing protein 0.0017 0.0022 0.0076
Brugia malayi hypothetical protein 0.0027 0.0159 0.0556
Onchocerca volvulus 0.0257 0.3292 1
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0044 0.0386 0.1347
Loa Loa (eye worm) hypothetical protein 0.0022 0.0085 0.0298
Trypanosoma cruzi polo-like protein kinase, putative 0.0207 0.2603 0.8723
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0085 0.0298
Onchocerca volvulus 0.0029 0.0185 0.0312
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0085 0.0298
Loa Loa (eye worm) hypothetical protein 0.0022 0.0085 0.0298
Echinococcus granulosus lamin 0.0029 0.0185 0.0164
Echinococcus granulosus lysine specific demethylase 5A 0.0065 0.0669 0.0649
Echinococcus granulosus citrate lyase subunit beta protein 0.0027 0.0154 0.0133
Trypanosoma cruzi hypothetical protein, conserved 0.0235 0.298 1
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0027 0.0154 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0646
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0085 0.0298
Trichomonas vaginalis set domain proteins, putative 0.0257 0.3292 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0085 0.0298
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.0044 0.0386 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0085 0.0298
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.0022 0.0076
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0207 0.2603 0.8723
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0027 0.0154 0.0447
Brugia malayi serine/threonine-protein kinase plk-2 0.0207 0.2603 0.9079
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0207 0.2603 0.9079
Brugia malayi intermediate filament protein 0.0029 0.0185 0.0646
Brugia malayi TAR-binding protein 0.0139 0.1675 0.5843
Echinococcus granulosus intermediate filament protein 0.0029 0.0185 0.0164
Schistosoma mansoni hypothetical protein 0.0044 0.0386 0.0365
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0085 0.0298
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.0022 0.0076
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0085 0.0064
Echinococcus multilocularis lamin dm0 0.0029 0.0185 0.0164
Schistosoma mansoni jumonji domain containing protein 0.0065 0.0669 0.0649
Entamoeba histolytica serine/threonine protein kinase, putative 0.0207 0.2603 0.5
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0027 0.0154 0.5
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0027 0.0154 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.118 0.3271
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0085 0.0298
Trypanosoma brucei hypothetical protein, conserved 0.0235 0.298 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0085 0.0064
Mycobacterium ulcerans hypothetical protein 0.0027 0.0154 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0085 0.0298
Schistosoma mansoni hypothetical protein 0.0187 0.2331 0.2314
Schistosoma mansoni intermediate filament proteins 0.0029 0.0185 0.0164
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0085 0.0064
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0085 0.0298
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0085 0.0064
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.0044 0.0386 1
Loa Loa (eye worm) RNA binding protein 0.0139 0.1675 0.5843
Plasmodium vivax SET domain protein, putative 0.0032 0.0228 0.5662
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0085 0.0064
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0085 0.0064
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0228 0.0207
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0159 0.0465
Echinococcus multilocularis citrate lyase subunit beta protein 0.0027 0.0154 0.0133
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0228 0.0207
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0085 0.0064
Brugia malayi nuclear receptor NHR-88 0.0022 0.0085 0.0298
Trichomonas vaginalis CAMK family protein kinase 0.0207 0.2603 0.7803
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.0044 0.0386 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0228 0.0207
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0085 0.0064
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0085 0.0064
Loa Loa (eye worm) hypothetical protein 0.0017 0.0022 0.0076
Onchocerca volvulus Serine\/threonine kinase homolog 0.0207 0.2603 0.785
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0228 0.0207
Schistosoma mansoni coup transcription factor 0.0022 0.0085 0.0064
Trichomonas vaginalis CAMK family protein kinase 0.0207 0.2603 0.7803
Schistosoma mansoni tar DNA-binding protein 0.0139 0.1675 0.1657
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0228 0.0207
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0159 0.3775
Schistosoma mansoni lamin 0.0029 0.0185 0.0164
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.118 0.3271
Brugia malayi hypothetical protein 0.004 0.0328 0.1144
Brugia malayi nuclear hormone receptor 0.0022 0.0085 0.0298
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0085 0.0298
Loa Loa (eye worm) hypothetical protein 0.0017 0.0022 0.0076
Loa Loa (eye worm) hypothetical protein 0.0017 0.0022 0.0076
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0159 0.3775
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0207 0.2603 0.2587
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0085 0.0298
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0085 0.0298
Brugia malayi RNA recognition motif domain containing protein 0.0139 0.1675 0.5843
Trichomonas vaginalis CAMK family protein kinase 0.0207 0.2603 0.7803
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0159 0.0465
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0085 0.0064
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0185 0.0646
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0085 0.0064
Onchocerca volvulus 0.0032 0.0228 0.0445
Echinococcus multilocularis lysine specific demethylase 5A 0.0065 0.0669 0.0649
Loa Loa (eye worm) hypothetical protein 0.0022 0.0085 0.0298
Trypanosoma cruzi polo-like protein kinase, putative 0.0207 0.2603 0.8723
Mycobacterium tuberculosis Conserved protein 0.0027 0.0154 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.0386 0.1347
Schistosoma mansoni hypothetical protein 0.0187 0.2331 0.2314
Trypanosoma brucei polo-like protein kinase 0.0207 0.2603 0.8723
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0085 0.0064
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0085 0.0298
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0228 0.0207
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0085 0.0064
Echinococcus granulosus lamin dm0 0.0029 0.0185 0.0164
Echinococcus multilocularis tar DNA binding protein 0.0139 0.1675 0.1657
Brugia malayi Pre-SET motif family protein 0.0226 0.2867 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0065 0.0669 0.0649
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0085 0.0298
Schistosoma mansoni lamin 0.0029 0.0185 0.0164
Trypanosoma cruzi hypothetical protein, conserved 0.0235 0.298 1
Brugia malayi ecdysteroid receptor 0.0022 0.0085 0.0298
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0085 0.0064
Echinococcus granulosus tar DNA binding protein 0.0139 0.1675 0.1657
Loa Loa (eye worm) hypothetical protein 0.0022 0.0085 0.0298
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0085 0.0064
Schistosoma mansoni tar DNA-binding protein 0.0139 0.1675 0.1657
Onchocerca volvulus 0.0029 0.0185 0.0312
Echinococcus multilocularis musashi 0.0029 0.0185 0.0164
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0085 0.0064
Loa Loa (eye worm) TAR-binding protein 0.0139 0.1675 0.5843
Loa Loa (eye worm) hypothetical protein 0.0027 0.0159 0.0556
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0085 0.0064
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0027 0.0154 0.0447
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0027 0.0154 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0085 0.0064
Schistosoma mansoni serine/threonine protein kinase 0.0207 0.2603 0.2587
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0159 0.0465
Loa Loa (eye worm) hypothetical protein 0.0022 0.0085 0.0298
Schistosoma mansoni jumonji/arid domain-containing protein 0.0065 0.0669 0.0649
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0044 0.0386 0.1347
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0085 0.0298
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0139 0.1675 0.5843
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0065 0.0669 0.0649
Loa Loa (eye worm) hypothetical protein 0.0029 0.0178 0.0621
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0085 0.0064
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0185 0.0646
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0212 0.019
Brugia malayi steroid hormone receptor 0.0022 0.0085 0.0298
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.0044 0.0386 0.0365
Echinococcus granulosus geminin 0.0187 0.2331 0.2314
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0085 0.0298
Leishmania major hypothetical protein, conserved 0.0027 0.0159 0.0465
Trichomonas vaginalis CAMK family protein kinase 0.0207 0.2603 0.7803
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0065 0.0669 0.0649
Mycobacterium ulcerans hypothetical protein 0.0027 0.0154 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0085 0.0298
Loa Loa (eye worm) hypothetical protein 0.0022 0.0085 0.0298
Brugia malayi jmjC domain containing protein 0.0017 0.0022 0.0076
Schistosoma mansoni tar DNA-binding protein 0.0139 0.1675 0.1657
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0085 0.0064
Brugia malayi Pre-SET motif family protein 0.0032 0.0228 0.0795
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0085 0.0298
Schistosoma mansoni tar DNA-binding protein 0.0139 0.1675 0.1657
Loa Loa (eye worm) hypothetical protein 0.0032 0.0228 0.0795
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0085 0.0298
Trichomonas vaginalis CAMK family protein kinase 0.0207 0.2603 0.7803
Leishmania major hypothetical protein, conserved 0.0235 0.298 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0085 0.0298
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0228 0.5662
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0228 0.0207
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0226 0.2867 1
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0085 0.0064
Brugia malayi hypothetical protein 0.0018 0.0027 0.0094
Brugia malayi jmjC domain containing protein 0.0017 0.0022 0.0076
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0085 0.0298
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0085 0.0064
Brugia malayi jmjC domain containing protein 0.0065 0.0669 0.2335
Brugia malayi hypothetical protein 0.004 0.0328 0.1144
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0085 0.0298
Brugia malayi jmjC domain containing protein 0.0017 0.0022 0.0076
Schistosoma mansoni kinase 0.0105 0.1218 0.1198
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0085 0.0298
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0085 0.0064
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0159 0.3775
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0207 0.2603 0.2587
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.0022 0.0076
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0085 0.0064
Schistosoma mansoni tar DNA-binding protein 0.0139 0.1675 0.1657
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0085 0.0064
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0044 0.0386 0.1347
Brugia malayi jmjC domain containing protein 0.0065 0.0669 0.2335

Activities

Activity type Activity value Assay description Source Reference
INH (functional) = 58.4 min Inhibition of haloperidol-induced catalepsy in Swiss albino mouse at 100 mg/kg, po administered 30 min prior to haloperidol challenge by bar test relative to haloperidol control ChEMBL. 19447524
INH (functional) = 127 min Inhibition of haloperidol-induced catalepsy in Swiss albino mouse assessed as time elapsed until release of forepaw from bar at 100 mg/kg, po administered 30 min prior to haloperidol challenge measured after 30 mins by bar test ChEMBL. 19447524
INH (functional) = 131 min Inhibition of haloperidol-induced catalepsy in Swiss albino mouse assessed as time elapsed until release of forepaw from bar at 100 mg/kg, po administered 30 min prior to haloperidol challenge measured after 90 mins by bar test ChEMBL. 19447524
INH (functional) = 138 min Inhibition of haloperidol-induced catalepsy in Swiss albino mouse assessed as time elapsed until release of forepaw from bar at 100 mg/kg, po administered 30 min prior to haloperidol challenge measured after 60 mins by bar test ChEMBL. 19447524
INH (functional) = 157 min Inhibition of haloperidol-induced catalepsy in Swiss albino mouse assessed as time elapsed until release of forepaw from bar at 100 mg/kg, po administered 30 min prior to haloperidol challenge measured after 120 mins by bar test ChEMBL. 19447524
INH (functional) = 189 min Inhibition of haloperidol-induced catalepsy in Swiss albino mouse assessed as time elapsed until release of forepaw from bar at 100 mg/kg, po administered 30 min prior to haloperidol challenge measured after 180 mins by bar test ChEMBL. 19447524
INH (functional) = 196 min Inhibition of haloperidol-induced catalepsy in Swiss albino mouse assessed as time elapsed until release of forepaw from bar at 100 mg/kg, po administered 30 min prior to haloperidol challenge measured after 150 mins by bar test ChEMBL. 19447524

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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