Detailed information for compound 2076082

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 404.914 | Formula: C19H21ClN4O2S
  • H donors: 1 H acceptors: 3 LogP: 2.43 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1c(C)cc(nc1=O)C)NC(c1ccccn1)Cc1cscc1.Cl
  • InChi: 1S/C19H20N4O2S.ClH/c1-13-9-14(2)23(19(25)21-13)11-18(24)22-17(10-15-6-8-26-12-15)16-5-3-4-7-20-16;/h3-9,12,17H,10-11H2,1-2H3,(H,22,24);1H
  • InChiKey: DMPWMPWFOSYMGA-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
Loa Loa (eye worm) hypothetical protein 0.0049 0.063 0.0886
Loa Loa (eye worm) hypothetical protein 0.0032 0.0169 0.0238
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0049 0.063 0.0886
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0217 0.5225 0.7353
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0049 0.063 0.0886
Schistosoma mansoni slit 0.0029 0.0089 0.017
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0217 0.5225 0.7353
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0049 0.063 0.0886
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0049 0.063 0.0886
Loa Loa (eye worm) hypothetical protein 0.0286 0.7105 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0049 0.063 0.0886
Echinococcus granulosus pikachurin 0.0029 0.0089 0.0089
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0702 0.5
Schistosoma mansoni single-minded 0.0059 0.0901 0.1725
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0049 0.063 0.0886
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.4082 0.7813
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0185 0.0261
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0049 0.063 0.0882
Brugia malayi Steroid receptor seven-up type 2 0.0049 0.063 0.0886
Schistosoma mansoni thyroid hormone receptor 0.0201 0.4788 0.9164
Brugia malayi Common central domain of tyrosinase family protein 0.0217 0.5225 0.7353
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0049 0.063 0.1206
Echinococcus multilocularis pikachurin 0.0029 0.0089 0.0125
Brugia malayi laminin alpha chain 0.0029 0.0089 0.0125
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0805 0.1134
Brugia malayi nuclear hormone receptor 0.0049 0.063 0.0886
Echinococcus multilocularis slit 2 protein 0.0029 0.0089 0.0125
Echinococcus granulosus single minded 2 0.0043 0.0484 0.0484
Echinococcus granulosus intermediate filament protein 0.0033 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0049 0.063 0.0886
Echinococcus granulosus FTZ F1 alpha 0.0049 0.063 0.063
Loa Loa (eye worm) tyrosinase 1 0.0217 0.5225 0.7353
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0185 0.0261
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0049 0.063 0.0886
Loa Loa (eye worm) hypothetical protein 0.0049 0.063 0.0886
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0217 0.5225 0.7353
Echinococcus granulosus geminin 0.0205 0.4891 0.4891
Brugia malayi bHLH-PAS transcription factor 0.0043 0.0484 0.0681
Loa Loa (eye worm) hypothetical protein 0.0217 0.5225 0.7353
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0049 0.063 0.063
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0049 0.063 0.063
Echinococcus granulosus lamin 0.0033 0.0185 0.0185
Schistosoma mansoni lamin 0.0033 0.0185 0.0355
Brugia malayi steroid hormone receptor 0.0049 0.063 0.0886
Onchocerca volvulus Bile acid receptor homolog 0.0049 0.063 0.0882
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0888 0.1249
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0702 0.5
Echinococcus granulosus lamin dm0 0.0033 0.0185 0.0185
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.4082 0.5745
Onchocerca volvulus 0.0217 0.5225 1
Echinococcus multilocularis musashi 0.0033 0.0185 0.0261
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0049 0.063 0.063
Loa Loa (eye worm) hypoxia-induced factor 1 0.0182 0.4268 0.6006
Onchocerca volvulus 0.0049 0.063 0.0882
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0805 0.1134
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0049 0.063 0.0886
Onchocerca volvulus 0.0217 0.5225 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0049 0.063 0.0886
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0049 0.063 0.1206
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0049 0.063 0.0886
Brugia malayi Thrombospondin N-terminal -like domain containing protein 0.0029 0.0089 0.0125
Schistosoma mansoni tyrosinase precursor 0.0217 0.5225 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0702 0.5
Echinococcus multilocularis transfer RNA-Lys 0.0043 0.0484 0.0681
Echinococcus multilocularis neurogenic locus notch protein 0.0029 0.0089 0.0125
Echinococcus multilocularis geminin 0.0205 0.4891 0.6884
Echinococcus multilocularis lamin dm0 0.0033 0.0185 0.0261
Loa Loa (eye worm) hypothetical protein 0.0029 0.0089 0.0125
Schistosoma mansoni hypothetical protein 0.0058 0.0888 0.1699
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0185 0.0261
Schistosoma mansoni retinoic acid receptor RXR 0.0049 0.063 0.1206
Onchocerca volvulus 0.0217 0.5225 1
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.4082 0.5745
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0194 0.4613 0.4613
Brugia malayi PAS domain containing protein 0.0059 0.0901 0.1269
Echinococcus granulosus neurogenic locus notch protein 0.0029 0.0089 0.0089
Loa Loa (eye worm) hypothetical protein 0.0197 0.4685 0.6594
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0049 0.063 0.0886
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0702 0.0702
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0049 0.063 0.1206
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0049 0.063 0.063
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0049 0.063 0.0886
Loa Loa (eye worm) hypothetical protein 0.0049 0.063 0.0886
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0049 0.063 0.0886
Brugia malayi photoreceptor-specific nuclear receptor 0.0049 0.063 0.0886
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0049 0.063 0.0886
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.3453 0.486
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0049 0.063 0.0886
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0805 0.0805
Schistosoma mansoni hypothetical protein 0.0158 0.3617 0.6923
Brugia malayi hypothetical protein 0.0197 0.4685 0.6594
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0049 0.063 0.0886
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0049 0.063 0.0886
Schistosoma mansoni laminin gamma-3 chain 0.0029 0.0089 0.017
Schistosoma mansoni RAR-like nuclear receptor 0.0049 0.063 0.1206
Schistosoma mansoni jun-related protein 0.0158 0.3617 0.6923
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0805 0.1542
Brugia malayi ShTK domain containing protein 0.0217 0.5225 0.7353
Brugia malayi follicle stimulating hormone receptor 0.0283 0.7023 0.9885
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0049 0.063 0.063
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0049 0.063 0.0886
Brugia malayi hypothetical protein 0.0286 0.7105 1
Loa Loa (eye worm) ShTK domain-containing protein 0.0217 0.5225 0.7353
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0805 0.0805
Schistosoma mansoni hypothetical protein 0.0152 0.3453 0.6609
Schistosoma mansoni survival motor neuron protein 0.0058 0.0888 0.1699
Schistosoma mansoni cell polarity protein 0.0029 0.0089 0.017
Loa Loa (eye worm) hypothetical protein 0.0217 0.5225 0.7353
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.3453 0.3453
Echinococcus multilocularis FTZ F1 alpha 0.0049 0.063 0.0886
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0805 0.1542
Loa Loa (eye worm) abnormal epIthelia family member 0.0029 0.0089 0.0125
Brugia malayi laminin-like protein K08C7.3 precursor 0.0029 0.0089 0.0125
Loa Loa (eye worm) hypothetical protein 0.0029 0.0089 0.0125
Echinococcus multilocularis jun protein 0.0194 0.4613 0.6493
Schistosoma mansoni hypothetical protein 0.0205 0.4891 0.9362
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0049 0.063 0.0886
Loa Loa (eye worm) hypothetical protein 0.0029 0.0089 0.0125
Brugia malayi hypoxia-induced factor 1 0.0182 0.4268 0.6006
Loa Loa (eye worm) hypothetical protein 0.0049 0.063 0.0886
Onchocerca volvulus 0.0058 0.0888 0.1394
Schistosoma mansoni intermediate filament proteins 0.0033 0.0185 0.0355
Echinococcus granulosus ecdysone induced protein 78C 0.0049 0.063 0.063
Loa Loa (eye worm) ShTK domain-containing protein 0.0217 0.5225 0.7353
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.7105 1
Onchocerca volvulus 0.0153 0.3471 0.6521
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0702 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0805 0.1134
Schistosoma mansoni aryl hydrocarbon receptor 0.0059 0.0901 0.1725
Schistosoma mansoni thyroid hormone receptor 0.0201 0.4788 0.9164
Loa Loa (eye worm) hypothetical protein 0.0049 0.063 0.0886
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0805 0.1542
Brugia malayi Cytochrome P450 family protein 0.0027 0.0042 0.0059
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0049 0.063 0.1206
Schistosoma mansoni nuclear hormone receptor 0.0049 0.063 0.1206
Brugia malayi hypothetical protein 0.0153 0.3471 0.4886
Schistosoma mansoni hypothetical protein 0.0205 0.4891 0.9362
Schistosoma mansoni coup transcription factor 0.0049 0.063 0.1206
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0585 0.5
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0585 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0049 0.063 0.063
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0049 0.063 0.0886
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0049 0.063 0.0886
Loa Loa (eye worm) hypothetical protein 0.0049 0.063 0.0886
Brugia malayi nuclear receptor NHR-88 0.0049 0.063 0.0886
Onchocerca volvulus 0.0217 0.5225 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0049 0.063 0.1206
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.7105 0.7105
Mycobacterium ulcerans putative regulatory protein 0.0043 0.0484 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0049 0.063 0.1206
Loa Loa (eye worm) hypothetical protein 0.0049 0.063 0.0886
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0049 0.063 0.0886
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0194 0.4613 0.6493
Loa Loa (eye worm) hypothetical protein 0.0033 0.0185 0.0261
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0049 0.063 0.063
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.3948 0.3948
Echinococcus granulosus slit 2 protein 0.0029 0.0089 0.0089
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0283 0.7023 0.9885
Onchocerca volvulus Protein ultraspiracle homolog 0.0049 0.063 0.0882
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0049 0.063 0.0886
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0049 0.063 0.0886
Schistosoma mansoni chondroitin sulfate proteoglycan-related 0.0029 0.0089 0.017
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0217 0.5225 0.7353
Brugia malayi Nuclear hormone receptor-like 1 0.0049 0.063 0.0886
Brugia malayi bZIP transcription factor family protein 0.0194 0.4613 0.6493
Brugia malayi intermediate filament protein 0.0033 0.0185 0.0261
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0702 0.5
Echinococcus granulosus jun protein 0.0194 0.4613 0.4613
Loa Loa (eye worm) acetyltransferase 0.0175 0.4082 0.5745
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0049 0.063 0.0886
Echinococcus multilocularis thyroid hormone receptor alpha 0.0201 0.4788 0.6739
Schistosoma mansoni tyrosinase precursor 0.0217 0.5225 1
Brugia malayi ecdysteroid receptor 0.0049 0.063 0.0886
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0585 0.5
Brugia malayi EGF-like domain containing protein 0.0029 0.0089 0.0125
Echinococcus multilocularis lamin 0.0033 0.0185 0.0261
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0049 0.063 0.1206
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0049 0.063 0.0886
Onchocerca volvulus 0.0043 0.0484 0.0592
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0049 0.063 0.0886
Loa Loa (eye worm) hypothetical protein 0.0189 0.4468 0.6288
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0042 0.0059
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0805 0.1134
Loa Loa (eye worm) steroid hormone receptor 0.0049 0.063 0.0886
Schistosoma mansoni lamin 0.0033 0.0185 0.0355

Activities

No activities found for this compound.

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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