Detailed information for compound 1022736

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 286.736 | Formula: C14H7ClN2OS
  • H donors: 0 H acceptors: 2 LogP: 3.36 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc2c(c1)c(=O)n(s2)c1ccc(cc1)Cl
  • InChi: 1S/C14H7ClN2OS/c15-10-2-4-11(5-3-10)17-14(18)12-7-9(8-16)1-6-13(12)19-17/h1-7H
  • InChiKey: OQFWBVRHRZBDPK-UHFFFAOYSA-N  

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 macrophage migration inhibitory factor (glycosylation-inhibiting factor) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana macrophage migration inhibitory factor-like protein Get druggable targets OG5_129767 All targets in OG5_129767
Leishmania mexicana macrophage migration inhibitory factor-like protein Get druggable targets OG5_129767 All targets in OG5_129767
Plasmodium berghei macrophage migration inhibitory factor Get druggable targets OG5_129767 All targets in OG5_129767
Giardia lamblia Macrophage migration inhibitory factor Get druggable targets OG5_129767 All targets in OG5_129767
Leishmania donovani macrophage migration inhibitory factor-like protein Get druggable targets OG5_129767 All targets in OG5_129767
Leishmania major macrophage migration inhibitory factor-like protein Get druggable targets OG5_129767 All targets in OG5_129767
Toxoplasma gondii macrophage migration inhibitory factor, putative Get druggable targets OG5_129767 All targets in OG5_129767
Leishmania infantum macrophage migration inhibitory factor-like protein Get druggable targets OG5_129767 All targets in OG5_129767
Loa Loa (eye worm) macrophage migration inhibitory factor Get druggable targets OG5_129767 All targets in OG5_129767
Plasmodium knowlesi macrophage migration inhibitory factor, putative Get druggable targets OG5_129767 All targets in OG5_129767
Leishmania donovani macrophage migration inhibitory factor-like protein Get druggable targets OG5_129767 All targets in OG5_129767
Brugia malayi Bm-MIF-1, identical Get druggable targets OG5_129767 All targets in OG5_129767
Plasmodium yoelii hypothetical protein Get druggable targets OG5_129767 All targets in OG5_129767
Leishmania infantum macrophage migration inhibitory factor-like protein Get druggable targets OG5_129767 All targets in OG5_129767
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_129767 All targets in OG5_129767
Plasmodium falciparum macrophage migration inhibitory factor Get druggable targets OG5_129767 All targets in OG5_129767
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative Get druggable targets OG5_129767 All targets in OG5_129767
Leishmania braziliensis macrophage migration inhibitory factor-like protein Get druggable targets OG5_129767 All targets in OG5_129767
Entamoeba histolytica macrophage migration inhibitory factor-like protein Get druggable targets OG5_129767 All targets in OG5_129767
Neospora caninum Macrophage migration inhibitory factor, related Get druggable targets OG5_129767 All targets in OG5_129767
Leishmania major macrophage migration inhibitory factor-like protein Get druggable targets OG5_129767 All targets in OG5_129767
Plasmodium vivax macrophage migration inhibitory factor, putative Get druggable targets OG5_129767 All targets in OG5_129767

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 aldehyde dehydrogenase, mitochondrial 0.006 0.0684 0.0659
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0058 0.0096
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0087 0.1017 0.3068
Brugia malayi N-terminal motif family protein 0.0179 0.2131 0.6339
Brugia malayi Protein kinase domain containing protein 0.0065 0.0749 0.2177
Brugia malayi hypothetical protein 0.0009 0.0058 0.0093
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0058 0.0031
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0027 0.0099
Brugia malayi bZIP transcription factor family protein 0.0008 0.0043 0.005
Echinococcus granulosus cyclic AMP responsive element binding protein 0.0008 0.0043 0.0017
Echinococcus multilocularis netrin receptor unc 5 0.0065 0.0749 0.0724
Schistosoma mansoni hypothetical protein 0.0012 0.01 0.037
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0684 0.5
Brugia malayi Uncoordinated protein 44 0.0065 0.0749 0.2177
Onchocerca volvulus 0.0052 0.059 0.2175
Echinococcus granulosus netrin receptor unc 5 0.0065 0.0749 0.0724
Echinococcus multilocularis jun protein 0.0278 0.3347 0.3329
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0205 0.245 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0029 0.0009
Echinococcus multilocularis survival motor neuron protein 1 0.0257 0.3088 0.3069
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0065 0.0749 0.2239
Brugia malayi Immunoglobulin I-set domain containing protein 0.0065 0.0749 0.2177
Entamoeba histolytica hypothetical protein 0.007 0.0805 0.3212
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0036 0.001
Onchocerca volvulus 0.0028 0.0297 0.1044
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.007 0.0805 0.0781
Plasmodium falciparum macrophage migration inhibitory factor 0.0205 0.245 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0029 0.0009
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0036 0.0134
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0029 0.0009
Brugia malayi hypothetical protein 0.0027 0.0285 0.0777
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0684 0.0659
Schistosoma mansoni netrin receptor unc5 0.0065 0.0749 0.2765
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0205 0.245 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0278 0.3347 0.3329
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0684 0.2617
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0686 0.2532
Brugia malayi hypothetical protein 0.0257 0.3088 0.922
Brugia malayi bZIP transcription factor family protein 0.0278 0.3347 1
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0058 0.0119
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0058 0.0031
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0058 0.0031
Schistosoma mansoni survival motor neuron protein 0.0052 0.059 0.2178
Brugia malayi bZIP transcription factor family protein 0.0008 0.0043 0.005
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0036 0.001
Echinococcus granulosus fos transcription factor 0.0008 0.0043 0.0017
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0684 0.1843
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0557 0.1644
Brugia malayi bZIP transcription factor family protein 0.0008 0.0043 0.005
Entamoeba histolytica hypothetical protein 0.007 0.0805 0.3212
Trichomonas vaginalis helicase, putative 0.0006 0.0029 0.0009
Loa Loa (eye worm) hypothetical protein 0.0009 0.0058 0.0096
Echinococcus multilocularis expressed protein 0.0008 0.0043 0.0017
Echinococcus multilocularis Ankyrin 0.0066 0.0754 0.0729
Schistosoma mansoni transcription factor LCR-F1 0.007 0.0805 0.2971
Schistosoma mansoni hypothetical protein 0.0052 0.059 0.2178
Brugia malayi hypothetical protein 0.0008 0.0043 0.005
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.007 0.0805 0.0781
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0285 1
Onchocerca volvulus 0.0218 0.2617 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0179 0.2131 0.8123
Loa Loa (eye worm) hypothetical protein 0.0027 0.0285 0.0799
Brugia malayi hypothetical protein 0.0018 0.0166 0.042
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0278 0.3347 0.3329
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0029 0.0009
Echinococcus granulosus death domain containing protein 0.0065 0.0749 0.0724
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0058 0.0212
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0205 0.245 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0029 0.0009
Schistosoma mansoni dishevelled 0.0009 0.0058 0.0212
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0557 0.2056
Schistosoma mansoni camp-response element binding protein-related 0.0008 0.0043 0.016
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0823 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0205 0.245 1
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0058 0.0031
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0058 0.0031
Echinococcus granulosus cpg binding protein 0.003 0.0317 0.0291
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0058 0.0212
Echinococcus multilocularis cpg binding protein 0.003 0.0317 0.0291
Schistosoma mansoni cpg binding protein 0.0028 0.0297 0.1096
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0058 0.0093
Brugia malayi bZIP transcription factor family protein 0.0008 0.0043 0.005
Echinococcus multilocularis fos transcription factor 0.0008 0.0043 0.0017
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0058 0.0093
Brugia malayi hypothetical protein 0.007 0.0805 0.2345
Brugia malayi hypothetical protein 0.0009 0.0058 0.0093
Loa Loa (eye worm) hypothetical protein 0.0008 0.0043 0.0051
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0006 0.0023 0.0085
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0058 0.0031
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0027 0.0099
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0557 0.2056
Schistosoma mansoni camp-response element binding protein 0.0008 0.0043 0.016
Leishmania major macrophage migration inhibitory factor-like protein 0.0205 0.245 1
Schistosoma mansoni hypothetical protein 0.0226 0.271 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0557 0.0532
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0557 0.0532
Loa Loa (eye worm) bZIP transcription factor family protein 0.0008 0.0043 0.0051
Loa Loa (eye worm) hypothetical protein 0.0066 0.0754 0.2255
Loa Loa (eye worm) hypothetical protein 0.0257 0.3088 0.9486
Onchocerca volvulus 0.0008 0.0043 0.0064
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0058 0.0096
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0608 0.2299
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0065 0.0749 0.0724
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0008 0.0043 0.0017
Echinococcus granulosus expressed protein 0.0008 0.0043 0.0017
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0058 0.0031
Echinococcus multilocularis cyclic AMP dependent transcription factor ATF 6 0.0008 0.0043 0.0017
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0029 0.0009
Loa Loa (eye worm) hypothetical protein 0.0271 0.3253 1
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0058 0.0031
Echinococcus granulosus survival motor neuron protein 1 0.0257 0.3088 0.3069
Echinococcus granulosus cAMP responsive element binding protein 3 0.0008 0.0043 0.0017
Schistosoma mansoni fos transcription factor-related 0.0008 0.0043 0.016
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0557 0.0532
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0029 0.0009
Echinococcus multilocularis cyclic AMP responsive element binding protein 0.0008 0.0043 0.0017
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0006 0.0027 0.0099
Loa Loa (eye worm) hypothetical protein 0.0008 0.0043 0.0051
Schistosoma mansoni ras GTP exchange factor 0.0006 0.0027 0.0099
Echinococcus granulosus cyclic AMP responsive element binding protein 0.0008 0.0043 0.0017
Echinococcus granulosus Ankyrin 0.0066 0.0754 0.0729
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0058 0.0212
Onchocerca volvulus Netrin receptor homolog 0.0065 0.0749 0.2789
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0029 0.0009
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.059 0.1697
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0557 0.0532
Echinococcus granulosus jun protein 0.0278 0.3347 0.3329
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0029 0.0009
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0058 0.0096
Schistosoma mansoni cpg binding protein 0.003 0.0317 0.1169
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0684 0.5
Onchocerca volvulus 0.0009 0.0058 0.0119
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0029 0.0009
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0029 0.0009
Loa Loa (eye worm) bZIP transcription factor family protein 0.0008 0.0043 0.0051
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0058 0.0093
Loa Loa (eye worm) hypothetical protein 0.0179 0.2131 0.6522
Schistosoma mansoni jun-related protein 0.0226 0.271 1
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0285 0.0949
Echinococcus multilocularis cAMP responsive element binding protein 3 0.0008 0.0043 0.0017
Loa Loa (eye worm) hypothetical protein 0.0009 0.0058 0.0096
Giardia lamblia Macrophage migration inhibitory factor 0.0205 0.245 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0029 0.0009
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0205 0.245 0.751
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0297 0.0838
Brugia malayi CXXC zinc finger family protein 0.0028 0.0297 0.0815
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0029 0.0009
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0684 0.2523
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0065 0.0749 0.0724
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0557 0.1598
Loa Loa (eye worm) hypothetical protein 0.0065 0.0749 0.2239
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0058 0.0031
Schistosoma mansoni hypothetical protein 0.0065 0.0749 0.2765
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0008 0.0043 0.0017
Brugia malayi DIX domain containing protein 0.0009 0.0058 0.0093
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0027 0.0099
Entamoeba histolytica hypothetical protein 0.007 0.0805 0.3212
Schistosoma mansoni camp-response element binding protein-related 0.0008 0.0043 0.016
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0058 0.0031
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0684 0.2523
Brugia malayi Death domain containing protein 0.0065 0.0749 0.2177
Schistosoma mansoni cpg binding protein 0.003 0.0317 0.1169
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0029 0.0009
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0087 0.1017 0.3068
Schistosoma mansoni hypothetical protein 0.007 0.0805 0.2971
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0056 0.0089
Schistosoma mansoni dishevelled 0.0009 0.0058 0.0212
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0029 0.0009
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0029 0.0009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0557 0.2056
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.01 0.0074
Schistosoma mansoni hypothetical protein 0.0008 0.0043 0.016
Leishmania major macrophage migration inhibitory factor-like protein 0.0205 0.245 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0036 0.001
Schistosoma mansoni camp-response element binding protein-related 0.0008 0.0043 0.016
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0684 0.5
Brugia malayi hypothetical protein 0.0218 0.2617 0.7803
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0036 0.001
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.01 0.0074
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0066 0.0754 0.2783
Brugia malayi Bm-MIF-1, identical 0.0205 0.245 0.7299
Schistosoma mansoni dep domain containing protein 0.0009 0.0058 0.0212
Echinococcus granulosus cyclic AMP dependent transcription factor ATF 6 0.0008 0.0043 0.0017
Schistosoma mansoni ankyrin 23/unc44 0.0065 0.0749 0.2765
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0029 0.0009
Loa Loa (eye worm) bZIP transcription factor family protein 0.0008 0.0043 0.0051
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0058 0.0031
Loa Loa (eye worm) hypothetical protein 0.0009 0.0058 0.0096
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0058 0.0031
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0205 0.245 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0684 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0285 1
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0285 0.5
Entamoeba histolytica hypothetical protein 0.007 0.0805 0.3212

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 19 uM Inhibition of human recombinant MIF tautomerase activity using 4-hydroxyphenylpyruvate as substrate ChEMBL. 21719283

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

1 literature reference was collected for this gene.

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