Detailed information for compound 143880

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 430.31 | Formula: C19H13Cl2N5OS
  • H donors: 2 H acceptors: 4 LogP: 5.66 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1nccc(n1)Nc1sc2c(n1)ccc(c2)C(=O)Nc1c(C)cccc1Cl
  • InChi: 1S/C19H13Cl2N5OS/c1-10-3-2-4-12(20)16(10)26-17(27)11-5-6-13-14(9-11)28-19(23-13)25-15-7-8-22-18(21)24-15/h2-9H,1H3,(H,26,27)(H,22,23,24,25)
  • InChiKey: NFUSXTFZJOTLAC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens LCK proto-oncogene, Src family tyrosine kinase Starlite/ChEMBL References

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 potassium voltage gated channel subfamily H 0.0043 0.0646 1
Wolbachia endosymbiont of Brugia malayi response regulator 0.0008 0 0.5
Echinococcus multilocularis NCK adaptor protein 0.0009 0.0017 0.0253
Schistosoma mansoni tyrosine kinase 0.001 0.004 0.0555
Loa Loa (eye worm) hypothetical protein 0.0017 0.0166 0.2564
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0009 0.0131
Echinococcus granulosus hyperpolarization activated cyclic 0.0009 0.0009 0.0142
Loa Loa (eye worm) hypothetical protein 0.0017 0.0166 0.2564
Echinococcus multilocularis voltage gated potassium channel 0.0013 0.0082 0.1271
Loa Loa (eye worm) hypothetical protein 0.0017 0.0166 0.2564
Echinococcus granulosus tyrosine protein kinase Lyn 0.001 0.004 0.0614
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0017 0.0166 0.2564
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0008 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0017 0.0166 0.2564
Echinococcus multilocularis tyrosine protein kinase Abl 0.001 0.004 0.0614
Schistosoma mansoni tyrosine kinase 0.001 0.004 0.0555
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0017 0.0166 0.2564
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0017 0.0166 0.2564
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0009 0.0131
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0017 0.0166 0.2564
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0017 0.0166 0.2564
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.001 0.004 0.0614
Onchocerca volvulus 0.0017 0.0166 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0017 0.0166 0.2564
Loa Loa (eye worm) hypothetical protein 0.0009 0.0018 0.0275
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0009 0.0018 0.025
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0017 0.0166 0.2306
Loa Loa (eye worm) steroid hormone receptor 0.0017 0.0166 0.2564
Onchocerca volvulus Bile acid receptor homolog 0.0017 0.0166 1
Schistosoma mansoni voltage-gated potassium channel 0.0009 0.0009 0.0131
Loa Loa (eye worm) hypothetical protein 0.0017 0.0166 0.2564
Echinococcus multilocularis thyroid hormone receptor alpha 0.0017 0.0166 0.2564
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.001 0.004 0.0614
Loa Loa (eye worm) hypothetical protein 0.0009 0.0018 0.0275
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0009 0.0009 0.0142
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0017 0.0166 0.2564
Schistosoma mansoni nuclear receptor 0.0008 0 0.0003
Mycobacterium tuberculosis Probable transcriptional regulatory protein 0.0547 0.9852 0.9852
Schistosoma mansoni nck2/grb4 0.0009 0.0017 0.023
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0017 0.0166 0.2564
Loa Loa (eye worm) hypothetical protein 0.0009 0.0018 0.0275
Schistosoma mansoni coup transcription factor 0.0017 0.0166 0.2306
Echinococcus granulosus FTZ F1 alpha 0.0017 0.0166 0.2564
Echinococcus granulosus tyrosine protein kinase Src64B 0.001 0.004 0.0614
Echinococcus multilocularis ecdysone induced protein 78C 0.0017 0.0166 0.2564
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0017 0.0166 0.2564
Wolbachia endosymbiont of Brugia malayi response regulator PleD 0.0008 0 0.5
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0008 0 0.0003
Mycobacterium tuberculosis Possible transcriptional regulatory protein 0.0547 0.9852 0.9852
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0009 0.0009 0.0159
Schistosoma mansoni adapter molecule crk 0.0009 0.0017 0.023
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0008 0 0.0003
Schistosoma mansoni growth factor receptor-bound protein 0.0009 0.0017 0.023
Mycobacterium tuberculosis Possible two component transcriptional regulatory protein (probably LuxR-family) 0.0547 0.9852 0.9852
Echinococcus multilocularis FTZ F1 alpha 0.0017 0.0166 0.2564
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0017 0.0166 0.2564
Brugia malayi hypothetical protein 0.0009 0.0018 0.0275
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0017 0.0166 0.2564
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.004 0.0614
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0017 0.0166 0.2564
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0017 0.0166 0.2564
Mycobacterium ulcerans putative regulatory protein 0.0547 0.9852 0.9852
Brugia malayi hypothetical protein 0.0009 0.0018 0.0275
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0017 0.0166 0.2306
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0017 0.0166 0.2306
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0017 0.0166 0.2564
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.001 0.004 0.0614
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0017 0.0166 0.2306
Echinococcus granulosus NCK adaptor protein 0.0009 0.0017 0.0253
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0017 0.0166 0.2564
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0043 0.0646 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.001 0.004 0.0614
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0017 0.0166 0.2564
Brugia malayi Nuclear hormone receptor-like 1 0.0009 0.0018 0.0275
Brugia malayi Variant SH3 domain containing protein 0.0009 0.0017 0.0253
Schistosoma mansoni nuclear receptor 0.0008 0 0.0003
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0009 0.0009 0.0142
Schistosoma mansoni RAR-like nuclear receptor 0.0017 0.0166 0.2306
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0009 0.0017 0.0253
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0009 0.0009 0.0142
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0017 0.0166 0.2306
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0017 0.0166 0.2564
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.001 0.004 0.0614
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0041 0.0593 1
Echinococcus granulosus voltage gated potassium channel 0.0013 0.0082 0.1271
Schistosoma mansoni nuclear hormone receptor 0.0008 0 0.0003
Schistosoma mansoni tyrosine kinase 0.001 0.004 0.0555
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0009 0.0009 0.0142
Schistosoma mansoni thyroid hormone receptor 0.0017 0.0166 0.2306
Loa Loa (eye worm) hypothetical protein 0.0017 0.0166 0.2564
Loa Loa (eye worm) hypothetical protein 0.0009 0.0009 0.0142
Echinococcus granulosus tyrosine protein kinase Btk29A 0.001 0.004 0.0614
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0013 0.0082 0.1271
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0009 0.0018 0.0275
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.004 0.0614
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0017 0.0166 0.2564
Brugia malayi Variant SH3 domain containing protein 0.0009 0.0017 0.0253
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0017 0.0166 0.2564
Loa Loa (eye worm) hypothetical protein 0.0009 0.0017 0.0253
Mycobacterium ulcerans hypothetical protein 0.0547 0.9852 0.9852
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0017 0.0166 0.2564
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0013 0.0082 0.1271
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0009 0.0009 0.0131
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0009 0.0018 0.0275
Schistosoma mansoni retinoic acid receptor RXR 0.0017 0.0166 0.2306
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0017 0.0166 0.2564
Echinococcus multilocularis growth factor receptor bound protein 2 0.0009 0.0017 0.0253
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0009 0.0009 0.0159
Schistosoma mansoni steroid hormone receptor ad4bp 0.0017 0.0166 0.2306
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0009 0.0018 0.025
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0009 0.0017 0.023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0017 0.0166 0.2564
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.004 0.0614
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.001 0.004 0.0555
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0718 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0017 0.0166 0.2564
Loa Loa (eye worm) hypothetical protein 0.0017 0.0166 0.2564
Echinococcus multilocularis tyrosine protein kinase Fgr 0.001 0.004 0.0614
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0009 0.0018 0.0275
Mycobacterium leprae PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN 0.0547 0.9852 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0018 0.0275
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0166 0.2564
Schistosoma mansoni zinc finger protein 0.0008 0 0.0003
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0043 0.0646 1
Mycobacterium tuberculosis Probable transcriptional regulatory protein (LuxR-family) 0.0547 0.9852 0.9852
Brugia malayi steroid hormone receptor 0.0017 0.0166 0.2564
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0017 0.0166 0.2564
Echinococcus granulosus tyrosine protein kinase Src42A 0.001 0.004 0.0614
Schistosoma mansoni nuclear hormone receptor 0.0008 0 0.0003
Brugia malayi Sex muscle abnormal protein 5 0.0009 0.0017 0.0253
Brugia malayi photoreceptor-specific nuclear receptor 0.0017 0.0166 0.2564
Loa Loa (eye worm) hypothetical protein 0.0013 0.0082 0.1271
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.004 0.0614
Brugia malayi nuclear receptor NHR-88 0.0017 0.0166 0.2564
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.001 0.004 0.0614
Schistosoma mansoni nuclear hormone receptor 0.0017 0.0166 0.2306
Brugia malayi nuclear hormone receptor 0.0017 0.0166 0.2564
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.004 0.0614
Schistosoma mansoni nuclear receptor nhr-48 0.0008 0 0.0003
Brugia malayi Steroid receptor seven-up type 2 0.0017 0.0166 0.2564
Onchocerca volvulus Protein ultraspiracle homolog 0.0017 0.0166 1
Brugia malayi nuclear receptor RXR 0.0009 0.0018 0.0275
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0009 0.0009 0.0142
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0041 0.0593 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0009 0.0009 0.0131
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0009 0.0009 0.0142
Brugia malayi Nuclear hormone receptor-like 1 0.0009 0.0018 0.0275
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0082 0.1145
Echinococcus granulosus hyperpolarization activated cyclic 0.0009 0.0009 0.0142
Echinococcus multilocularis hyperpolarization activated cyclic 0.0009 0.0009 0.0142
Echinococcus granulosus c src tyrosine kinase 0.001 0.004 0.0614
Echinococcus granulosus ecdysone induced protein 78C 0.0017 0.0166 0.2564
Echinococcus multilocularis hyperpolarization activated cyclic 0.0009 0.0009 0.0142
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0017 0.0166 0.2564
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0009 0.0017 0.0253
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0017 0.0166 0.2564
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0009 0.0009 0.0142
Mycobacterium ulcerans two component transcriptional regulatory protein DevR 0.0555 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0017 0.0166 0.2564
Loa Loa (eye worm) SRC-1 0.001 0.004 0.0614
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0017 0.0166 0.2564
Treponema pallidum protein-glutamate methylesterase (cheB) 0.0008 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0017 0.0166 0.2564
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0017 0.0166 0.2564
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0718 1
Brugia malayi Tyrosine-protein kinase abl-1 0.001 0.004 0.0614
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0017 0.0166 0.2564
Schistosoma mansoni growth factor receptor-bound protein 0.0009 0.0017 0.023
Treponema pallidum chemotaxis response regulator (cheY) 0.0008 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.0018 0.0275
Loa Loa (eye worm) hypothetical protein 0.0017 0.0166 0.2564
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0009 0.0131
Loa Loa (eye worm) hypothetical protein 0.0038 0.0541 0.8377
Brugia malayi SRC-1 0.001 0.004 0.0614
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0017 0.0166 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0009 0.0009 0.0142
Echinococcus multilocularis tyrosine protein kinase Src42A 0.001 0.004 0.0614
Treponema pallidum response regulatory protein (atoC) 0.0008 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0166 0.2564
Brugia malayi Cyclic-nucleotide gated cation channel 0.0009 0.0009 0.0142
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0017 0.0166 0.2564
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.004 0.0614
Chlamydia trachomatis two component regulatory system response regulator/ATPase 0.0008 0 0.5
Mycobacterium tuberculosis Probable transcriptional regulatory protein (probably LuxR/UhpA-family) 0.0547 0.9852 0.9852
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0043 0.0646 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0017 0.0166 0.2306
Schistosoma mansoni thyroid hormone receptor 0.0017 0.0166 0.2306
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0082 0.1145
Mycobacterium ulcerans two component transcriptional regulator 0.0555 1 1
Echinococcus multilocularis c src tyrosine kinase 0.001 0.004 0.0614
Brugia malayi ecdysteroid receptor 0.0017 0.0166 0.2564
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0009 0.0009 0.0142
Schistosoma mansoni tyrosine kinase 0.001 0.004 0.0555
Echinococcus granulosus growth factor receptor bound protein 2 0.0009 0.0017 0.0253
Mycobacterium ulcerans nitrate/nitrite response regulator protein NarL 0.0555 1 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.001 0.004 0.0614
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0013 0.0082 0.1271

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.031 uM Inhibition of human p56 Lck tyrosine kinase ChEMBL. 12852972
IC50 (binding) = 0.031 uM Inhibition of human p56 Lck tyrosine kinase ChEMBL. 12852972

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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