Detailed information for compound 1074453

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)Nc1ccc(cc1)Cl
  • InChi: 1S/C14H12ClN5OS2/c1-2-20-12-10(23-14(20)22)11(16-7-17-12)19-13(21)18-9-5-3-8(15)4-6-9/h3-7H,2H2,1H3,(H2,16,17,18,19,21)
  • InChiKey: DGDVZEOICIKFFK-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
Trichomonas vaginalis D-aminoacylase, putative 0.0082 0.0761 1
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0165 0.0558
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0035 0.0198 0.0667
Schistosoma mansoni metabotropic glutamate receptor 0.003 0.0142 0.0742
Trichomonas vaginalis penicillin-binding protein, putative 0.0082 0.0761 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0035 0.0198 0.0667
Schistosoma mansoni hypothetical protein 0.0032 0.0165 0.0861
Loa Loa (eye worm) hypothetical protein 0.0055 0.0436 0.1472
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.031 0.031
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0076 0.069 0.069
Echinococcus granulosus metabotropic glutamate receptor 2 0.0052 0.04 0.2086
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0018 0.0002 0.0012
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.007 0.0621 0.3235
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0035 0.0198 0.0198
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0035 0.0198 0.0667
Brugia malayi photoreceptor-specific nuclear receptor 0.0035 0.0198 0.0667
Echinococcus multilocularis thyroid hormone receptor alpha 0.0035 0.0198 0.0198
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0165 0.0165
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0035 0.0198 0.103
Loa Loa (eye worm) glutamate receptor 0.0024 0.0073 0.0247
Brugia malayi steroid hormone receptor 0.0035 0.0198 0.0667
Loa Loa (eye worm) hypothetical protein 0.0024 0.0074 0.0251
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.099 0.3344
Schistosoma mansoni steroid hormone receptor ad4bp 0.0035 0.0198 0.103
Brugia malayi nuclear hormone receptor 0.0035 0.0198 0.0667
Trichomonas vaginalis penicillin-binding protein, putative 0.0082 0.0761 1
Echinococcus granulosus GPCR family 2 0.0032 0.0165 0.0861
Onchocerca volvulus 0.0082 0.0761 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0035 0.0198 0.0667
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0035 0.0198 0.0667
Brugia malayi beta-lactamase family protein 0.0082 0.0761 0.2571
Loa Loa (eye worm) hypothetical protein 0.0101 0.099 0.3344
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0522 0.6027 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0035 0.0198 0.0198
Loa Loa (eye worm) hypothetical protein 0.0018 0.0002 0.0008
Onchocerca volvulus Protein ultraspiracle homolog 0.0035 0.0198 0.1797
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0035 0.0198 0.0667
Brugia malayi Steroid receptor seven-up type 2 0.0035 0.0198 0.0667
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0035 0.0198 0.0198
Brugia malayi ecdysteroid receptor 0.0035 0.0198 0.0667
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0035 0.0198 0.0667
Toxoplasma gondii ABC1 family protein 0.0082 0.0761 1
Brugia malayi Flap endonuclease-1 0.0026 0.0098 0.033
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0082 0.0761 0.2571
Trypanosoma brucei hypothetical protein, conserved 0.0082 0.0761 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0018 0.0002 0.0012
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0052 0.04 0.04
Echinococcus granulosus geminin 0.0179 0.1918 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.031 0.1614
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0035 0.0198 0.103
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0024 0.0074 0.0251
Echinococcus granulosus flap endonuclease 1 0.0026 0.0098 0.0509
Echinococcus multilocularis Niemann Pick C1 protein 0.0104 0.1024 0.1024
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0035 0.0198 0.103
Echinococcus granulosus beta LACTamase domain containing family member 0.0082 0.0761 0.3966
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0105 0.1043 0.5438
Schistosoma mansoni thyroid hormone receptor 0.0035 0.0198 0.103
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0035 0.0198 0.0667
Echinococcus multilocularis protein dispatched 1 0.0051 0.0391 0.0391
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0024 0.0074 0.0251
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0024 0.0074 0.0251
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0082 0.0761 0.2571
Loa Loa (eye worm) hypothetical protein 0.0035 0.0198 0.0667
Trichomonas vaginalis D-aminoacylase, putative 0.0082 0.0761 1
Trichomonas vaginalis D-aminoacylase, putative 0.0082 0.0761 1
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0098 0.0098
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0035 0.0198 0.103
Schistosoma mansoni coup transcription factor 0.0035 0.0198 0.103
Schistosoma mansoni flap endonuclease-1 0.0024 0.0068 0.0352
Loa Loa (eye worm) hypothetical protein 0.0035 0.0198 0.0667
Schistosoma mansoni hypothetical protein 0.0043 0.0297 0.1547
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.031 0.1614
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0035 0.0198 0.0667
Brugia malayi nuclear receptor NHR-88 0.0035 0.0198 0.0667
Loa Loa (eye worm) hypothetical protein 0.0035 0.0198 0.0667
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0035 0.0198 0.103
Onchocerca volvulus 0.0035 0.0198 0.1797
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0082 0.0761 0.3966
Loa Loa (eye worm) hypothetical protein 0.0076 0.069 0.2331
Loa Loa (eye worm) hypothetical protein 0.0045 0.0316 0.1067
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0316 0.1067
Loa Loa (eye worm) hypothetical protein 0.0082 0.0761 0.2571
Loa Loa (eye worm) hypothetical protein 0.0035 0.0198 0.0667
Schistosoma mansoni patched 1 0.0045 0.0316 0.1647
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0035 0.0198 0.0667
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0018 0.0002 0.0008
Echinococcus multilocularis geminin 0.0179 0.1918 0.1918
Mycobacterium leprae conserved hypothetical protein 0.0082 0.0761 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.099 0.3344
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0104 0.1024 1
Plasmodium vivax hypothetical protein, conserved 0.0082 0.0761 1
Mycobacterium ulcerans hypothetical protein 0.0082 0.0761 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0035 0.0198 0.0198
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0035 0.0198 0.103
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0024 0.0074 0.0251
Brugia malayi Metabotropic glutamate receptor precursor. 0.0062 0.052 0.1756
Echinococcus multilocularis ecdysone induced protein 78C 0.0035 0.0198 0.0198
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0165 0.0861
Loa Loa (eye worm) MH2 domain-containing protein 0.0266 0.296 1
Loa Loa (eye worm) glutamate receptor 0.0062 0.052 0.1756
Loa Loa (eye worm) hypothetical protein 0.0035 0.0198 0.0667
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0165 0.0558
Echinococcus multilocularis GPCR, family 2 0.0032 0.0165 0.0165
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0035 0.0198 0.0667
Schistosoma mansoni hypothetical protein 0.0043 0.0297 0.1547
Leishmania major hypothetical protein, conserved 0.0082 0.0761 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.1024 0.346
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0165 0.0558
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0035 0.0198 0.0667
Loa Loa (eye worm) hypothetical protein 0.0035 0.0198 0.0667
Schistosoma mansoni hypothetical protein 0.0032 0.0165 0.0861
Mycobacterium ulcerans beta-lactamase 0.0082 0.0761 0.5
Plasmodium falciparum flap endonuclease 1 0.0026 0.0098 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.031 0.1614
Echinococcus granulosus Niemann Pick C1 protein 0.0148 0.1556 0.8112
Brugia malayi beta-lactamase family protein 0.0082 0.0761 0.2571
Brugia malayi MH2 domain containing protein 0.0266 0.296 1
Trypanosoma cruzi hypothetical protein, conserved 0.0082 0.0761 1
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0608 0.2055
Schistosoma mansoni hypothetical protein 0.0043 0.0297 0.1547
Schistosoma mansoni hypothetical protein 0.0069 0.0608 0.317
Echinococcus multilocularis beta LACTamase domain containing family member 0.0082 0.0761 0.0761
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0035 0.0198 0.0667
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0316 0.1647
Brugia malayi CHE-14 protein 0.0045 0.0316 0.1067
Schistosoma mansoni nuclear hormone receptor 0.0035 0.0198 0.103
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0098 0.033
Loa Loa (eye worm) hypothetical protein 0.0032 0.0165 0.0558
Mycobacterium ulcerans esterase/lipase LipP 0.0082 0.0761 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0002 0.0008
Onchocerca volvulus Bile acid receptor homolog 0.0035 0.0198 0.1797
Schistosoma mansoni retinoic acid receptor RXR 0.0035 0.0198 0.103
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0035 0.0198 0.103
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0082 0.0761 0.3966
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.031 0.1614
Schistosoma mansoni hypothetical protein 0.0179 0.1918 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.031 0.1614
Schistosoma mansoni hypothetical protein 0.0032 0.0165 0.0861
Echinococcus granulosus metabotropic glutamate receptor 5 0.0076 0.069 0.3595
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0035 0.0198 0.0667
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0035 0.0198 0.0667
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0316 0.0316
Brugia malayi Nuclear hormone receptor-like 1 0.0035 0.0198 0.0667
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0035 0.0198 0.103
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0035 0.0198 0.103
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0002 0.0008
Loa Loa (eye worm) hypothetical protein 0.0035 0.0198 0.0667
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0035 0.0198 0.1797
Schistosoma mansoni hypothetical protein 0.0032 0.0165 0.0861
Trypanosoma cruzi hypothetical protein, conserved 0.0082 0.0761 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0165 0.0165
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0018 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0082 0.0761 0.2571
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.031 0.1046
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0035 0.0198 0.0667
Echinococcus granulosus FTZ F1 alpha 0.0035 0.0198 0.103
Mycobacterium leprae Probable lipase LipE 0.0082 0.0761 0.5
Schistosoma mansoni hypothetical protein 0.0043 0.0297 0.1547
Echinococcus multilocularis protein patched 0.0045 0.0316 0.0316
Schistosoma mansoni thyroid hormone receptor 0.0035 0.0198 0.103
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0082 0.0761 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0035 0.0198 0.0198
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0035 0.0198 0.0667
Brugia malayi nuclear receptor RXR 0.0018 0.0002 0.0008
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.031 0.1046
Mycobacterium ulcerans lipase LipD 0.0082 0.0761 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0035 0.0198 0.103
Loa Loa (eye worm) hypothetical protein 0.0018 0.0002 0.0008
Loa Loa (eye worm) hypothetical protein 0.0082 0.0761 0.2571
Loa Loa (eye worm) transcription factor SMAD2 0.0266 0.296 1
Echinococcus multilocularis expressed conserved protein 0.0097 0.0949 0.0949
Schistosoma mansoni hypothetical protein 0.0179 0.1918 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.0761 0.2571
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0316 0.1647
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.031 0.031
Loa Loa (eye worm) hypothetical protein 0.0018 0.0002 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0035 0.0198 0.0667
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.099 0.3344
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0035 0.0198 0.103
Echinococcus granulosus Niemann Pick C1 protein 0.0104 0.1024 0.5338
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0165 0.0861
Loa Loa (eye worm) steroid hormone receptor 0.0035 0.0198 0.0667
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0098 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0035 0.0198 0.103
Loa Loa (eye worm) hypothetical protein 0.0018 0.0002 0.0008
Onchocerca volvulus 0.0082 0.0761 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0035 0.0198 0.103
Loa Loa (eye worm) hypothetical protein 0.0069 0.0608 0.2055
Brugia malayi hypothetical protein 0.0018 0.0002 0.0008
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0018 0.0002 0.0012
Echinococcus multilocularis FTZ F1 alpha 0.0035 0.0198 0.0198
Brugia malayi beta-lactamase 0.0082 0.0761 0.2571
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0035 0.0198 0.103
Loa Loa (eye worm) hypothetical protein 0.0082 0.0761 0.2571
Loa Loa (eye worm) beta-lactamase 0.0082 0.0761 0.2571
Trichomonas vaginalis esterase, putative 0.0082 0.0761 1
Schistosoma mansoni RAR-like nuclear receptor 0.0035 0.0198 0.103
Schistosoma mansoni metabotropic glutamate receptor 0.0052 0.04 0.2086
Echinococcus multilocularis Niemann Pick C1 protein 0.0148 0.1556 0.1556
Brugia malayi metabotropic glutamate receptor type 2 0.003 0.0142 0.0481
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0056 0.045 0.1522
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0002 0.0008
Loa Loa (eye worm) hypothetical protein 0.0082 0.0761 0.2571
Onchocerca volvulus 0.0082 0.0761 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0035 0.0198 0.0667
Brugia malayi hypothetical protein 0.0018 0.0002 0.0008
Brugia malayi Niemann-Pick C1 protein precursor 0.0104 0.1024 0.346
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0035 0.0198 0.0198
Loa Loa (eye worm) hypothetical protein 0.0035 0.0198 0.0667
Echinococcus granulosus expressed conserved protein 0.0097 0.0949 0.4945
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0035 0.0198 0.0667
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0316 0.3291

Activities

Activity type Activity value Assay description Source Reference
INH (functional) = 64 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) = 64.1 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) = 152 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) = 163 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) = 173 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) = 226 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
INH (functional) = 247 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

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.

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