Detailed information for compound 1022958

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 275.298 | Formula: C14H10FNO2S
  • H donors: 0 H acceptors: 1 LogP: 3.09 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)n1sc2c(c1=O)cc(cc2)F
  • InChi: 1S/C14H10FNO2S/c1-18-11-4-2-3-10(8-11)16-14(17)12-7-9(15)5-6-13(12)19-16/h2-8H,1H3
  • InChiKey: UPWGGRNKQYOZGP-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 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 infantum macrophage migration inhibitory factor-like protein 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
Plasmodium vivax macrophage migration inhibitory factor, putative 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 yoelii hypothetical 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
Toxoplasma gondii macrophage migration inhibitory factor, 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
Leishmania infantum 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
Leishmania donovani 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
Entamoeba histolytica 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 berghei macrophage migration inhibitory factor 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
Leishmania major macrophage migration inhibitory factor-like protein 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
Plasmodium knowlesi macrophage migration inhibitory factor, putative 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
Brugia malayi Bm-MIF-1, identical 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
Loa Loa (eye worm) hypothetical protein 0.0051 0.0838 0.0939
Echinococcus multilocularis ETS transcription factor Elf 5 0.001 0.0017 0.0021
Mycobacterium ulcerans pyruvate kinase 0.0037 0.0557 0.5
Brugia malayi Fli-1 protein 0.0216 0.4209 0.4792
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.044 0.8764 1
Echinococcus granulosus ETS transcription factor Elf 2 0.001 0.0017 0.0021
Loa Loa (eye worm) pyruvate kinase 0.0037 0.0557 0.0618
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0064 0.1103 0.1347
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0071 0.1257 0.1417
Echinococcus multilocularis pyruvate kinase 0.0019 0.0192 0.0235
Trypanosoma cruzi pyruvate kinase 2, putative 0.0037 0.0557 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.033 0.0358
Plasmodium vivax pyruvate kinase, putative 0.0037 0.0557 0.0966
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0133 0.0163
Brugia malayi Pyruvate kinase, muscle isozyme 0.0037 0.0557 0.0618
Onchocerca volvulus Pyruvate kinase homolog 0.0037 0.0557 0.0169
Echinococcus granulosus pyruvate kinase 0.0019 0.0192 0.0235
Entamoeba histolytica hypothetical protein 0.0076 0.1361 0.2829
Echinococcus granulosus histone lysine methyltransferase setb 0.0064 0.1103 0.1347
Echinococcus granulosus dnaJ subfamily B 0.0412 0.8183 1
Schistosoma mansoni elf1 0.001 0.0017 0.0021
Schistosoma mansoni hypothetical protein 0.001 0.0017 0.0021
Echinococcus multilocularis pyruvate kinase 0.0037 0.0557 0.0681
Echinococcus granulosus pyruvate kinase 0.0037 0.0557 0.0681
Schistosoma mansoni cpg binding protein 0.0031 0.0428 0.0523
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.001 0.0017 0.0021
Loa Loa (eye worm) hypothetical protein 0.0064 0.1103 0.1241
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0087 0.1584 0.1792
Echinococcus multilocularis protein C ets 2 0.001 0.0017 0.0021
Schistosoma mansoni hypothetical protein 0.0412 0.8183 1
Echinococcus multilocularis ets variant gene 4 0.001 0.0017 0.0021
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0838 0.0939
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0205 0.3973 0.3618
Echinococcus granulosus ewsr:fli fusion protein type 0.001 0.0017 0.0021
Plasmodium vivax SET domain protein, putative 0.0064 0.1103 0.2408
Entamoeba histolytica hypothetical protein 0.0076 0.1361 0.2829
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0133 0.0133
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0133 0.0133
Echinococcus granulosus ETS domain containing protein Elk 1 0.001 0.0017 0.0021
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.1101 0.1346
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.1103 0.1347
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0133 0.0163
Schistosoma mansoni pyruvate kinase 0.0019 0.0192 0.0235
Brugia malayi CXXC zinc finger family protein 0.0029 0.0395 0.0432
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0064 0.1103 0.1347
Loa Loa (eye worm) pyruvate kinase-PB 0.0026 0.033 0.0358
Giardia lamblia Macrophage migration inhibitory factor 0.0205 0.3973 1
Echinococcus granulosus GPCR family 2 0.0016 0.0133 0.0163
Trypanosoma brucei pyruvate kinase 1 0.0037 0.0557 0.5
Echinococcus multilocularis GPCR, family 2 0.0016 0.0133 0.0163
Echinococcus multilocularis ETS transcription factor Elf 2 0.001 0.0017 0.0021
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0512 0.0566
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0087 0.1584 0.1792
Loa Loa (eye worm) hypothetical protein 0.0035 0.0512 0.0566
Loa Loa (eye worm) hypothetical protein 0.0016 0.0133 0.0133
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.1103 0.1347
Schistosoma mansoni hypothetical protein 0.001 0.0017 0.0021
Plasmodium falciparum macrophage migration inhibitory factor 0.0205 0.3973 1
Schistosoma mansoni hypothetical protein 0.0016 0.0133 0.0163
Schistosoma mansoni transcription factor LCR-F1 0.0076 0.1361 0.1663
Giardia lamblia Pyruvate kinase 0.0037 0.0557 0.0966
Echinococcus multilocularis dnaJ subfamily B 0.0412 0.8183 1
Schistosoma mansoni hypothetical protein 0.0076 0.1361 0.1663
Loa Loa (eye worm) pyruvate kinase 0.0037 0.0557 0.0618
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0838 0.0939
Schistosoma mansoni pyruvate kinase 0.0037 0.0557 0.0681
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0011 0.0034 0.0019
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0968 0.2052
Echinococcus multilocularis ETS transcription factor Elf 2 0.001 0.0017 0.0021
Echinococcus multilocularis pyruvate kinase 0.0029 0.0399 0.0488
Loa Loa (eye worm) hypothetical protein 0.0061 0.1046 0.1177
Schistosoma mansoni hypothetical protein 0.0016 0.0133 0.0163
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0036 0.0022
Trichomonas vaginalis set domain proteins, putative 0.0501 1 1
Mycobacterium leprae Probable pyruvate kinase PykA 0.0037 0.0557 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0061 0.1042 0.1274
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0838 0.0939
Echinococcus multilocularis GA binding protein alpha chain 0.0071 0.1257 0.1536
Brugia malayi Pyruvate kinase, M2 isozyme 0.0037 0.0557 0.0618
Schistosoma mansoni pyruvate kinase 0.0037 0.0557 0.0681
Schistosoma mansoni ets 0.001 0.0017 0.0021
Echinococcus granulosus ETS transcription factor Elf 2 0.001 0.0017 0.0021
Leishmania major macrophage migration inhibitory factor-like protein 0.0205 0.3973 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0133 0.0163
Loa Loa (eye worm) pyruvate kinase 0.0037 0.0557 0.0618
Echinococcus multilocularis pyruvate kinase 0.0019 0.0192 0.0235
Schistosoma mansoni hypothetical protein 0.0016 0.0133 0.0163
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0205 0.3973 1
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0205 0.3973 1
Onchocerca volvulus Pyruvate kinase homolog 0.0037 0.0557 0.0169
Echinococcus granulosus GA binding protein alpha chain 0.0071 0.1257 0.1536
Brugia malayi Ets-domain containing protein 0.0071 0.1257 0.1417
Brugia malayi Pre-SET motif family protein 0.0064 0.1103 0.1241
Brugia malayi hypothetical protein 0.0076 0.1361 0.1536
Echinococcus multilocularis ETS transcription factor Elf 1 0.001 0.0017 0.0021
Leishmania major macrophage migration inhibitory factor-like protein 0.0205 0.3973 1
Echinococcus multilocularis ewsr:fli fusion protein type 0.001 0.0017 0.0021
Echinococcus multilocularis ETS domain containing protein Elk 1 0.001 0.0017 0.0021
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0064 0.1103 0.2408
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0076 0.1361 0.1663
Schistosoma mansoni cpg binding protein 0.0031 0.0428 0.0523
Entamoeba histolytica hypothetical protein 0.0076 0.1361 0.2829
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0395 0.0432
Brugia malayi Bm-MIF-1, identical 0.0205 0.3973 0.4523
Brugia malayi Ets-domain containing protein 0.0071 0.1257 0.1417
Schistosoma mansoni gabp alpha 0.0071 0.1257 0.1536
Schistosoma mansoni hypothetical protein 0.0035 0.0512 0.0626
Loa Loa (eye worm) fli-1 protein 0.0216 0.4209 0.4792
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0037 0.0557 0.5
Echinococcus granulosus cpg binding protein 0.0031 0.0428 0.0523
Schistosoma mansoni hypothetical protein 0.0016 0.0133 0.0163
Echinococcus multilocularis pyruvate kinase 0.0037 0.0557 0.0681
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0036 0.0044
Echinococcus granulosus ETS transcription factor Elf 1 0.001 0.0017 0.0021
Trichomonas vaginalis conserved hypothetical protein 0.0205 0.3973 0.3618
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0205 0.3973 1
Onchocerca volvulus Pyruvate kinase homolog 0.0037 0.0557 0.0169
Plasmodium falciparum pyruvate kinase 0.0037 0.0557 0.0966
Toxoplasma gondii pyruvate kinase PyK1 0.0037 0.0557 0.0966
Echinococcus granulosus pyruvate kinase 0.0037 0.0557 0.0681
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0064 0.1103 0.1347
Schistosoma mansoni ets-related 0.0216 0.4209 0.5144
Echinococcus multilocularis pyruvate kinase 0.0019 0.0192 0.0235
Onchocerca volvulus 0.0064 0.1103 0.0737
Entamoeba histolytica hypothetical protein 0.0076 0.1361 0.2829
Loa Loa (eye worm) hypothetical protein 0.0037 0.0557 0.0618
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0036 0.0044
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0133 0.0163
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0034 0.0019
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0076 0.1361 0.1663
Echinococcus multilocularis cpg binding protein 0.0031 0.0428 0.0523
Echinococcus granulosus pyruvate kinase 0.0019 0.0192 0.0235
Echinococcus granulosus ETS transcription factor Elf 5 0.001 0.0017 0.0021
Echinococcus granulosus pyruvate kinase 0.0019 0.0192 0.0235
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0205 0.3973 0.4523
Trypanosoma brucei pyruvate kinase 1, putative 0.0037 0.0557 0.5
Echinococcus granulosus protein C ets 2 0.001 0.0017 0.0021
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0133 0.0133
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.1103 0.1347
Schistosoma mansoni cpg binding protein 0.0029 0.0395 0.0482
Chlamydia trachomatis pyruvate kinase 0.0037 0.0557 0.5
Trypanosoma cruzi pyruvate kinase 2, putative 0.0037 0.0557 0.5
Schistosoma mansoni ets-related 0.001 0.0017 0.0021
Brugia malayi Pre-SET motif family protein 0.044 0.8764 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.8 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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