Detailed information for compound 508702

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 235.279 | Formula: C13H17NO3
  • H donors: 1 H acceptors: 2 LogP: 3.05 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CC(C)(C)C)O/N=C/c1ccc(cc1)O
  • InChi: 1S/C13H17NO3/c1-13(2,3)8-12(16)17-14-9-10-4-6-11(15)7-5-10/h4-7,9,15H,8H2,1-3H3/b14-9+
  • InChiKey: IRHAIEVALGHVLW-NTEUORMPSA-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 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
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
Leishmania donovani 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
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 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
Leishmania braziliensis 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
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
Brugia malayi Bm-MIF-1, identical 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
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
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
Giardia lamblia Macrophage migration inhibitory factor 0.0205 0.2187 0.5
Schistosoma mansoni hypothetical protein 0.0286 0.3272 0.3876
Brugia malayi Probable ClpP-like protease 0.0077 0.0484 0.2213
Schistosoma mansoni jumonji domain containing protein 0.0058 0.0232 0.0274
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0179 0.0213
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0087 0.0627 0.2868
Loa Loa (eye worm) MBCTL1 0.0054 0.0179 0.0821
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0484 1
Trypanosoma cruzi hypothetical protein, conserved 0.0285 0.325 1
Trypanosoma cruzi hypothetical protein, conserved 0.0285 0.325 1
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0087 0.0627 0.2868
Brugia malayi jmjC domain containing protein 0.0058 0.0232 0.106
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.0484 0.0484
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0139 0.1314 0.1314
Trypanosoma cruzi hypothetical protein, conserved 0.0285 0.325 1
Echinococcus multilocularis geminin 0.0166 0.1671 0.1671
Loa Loa (eye worm) hypothetical protein 0.0148 0.1432 0.6549
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0179 0.0179
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0179 0.0213
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0186 0.1934 0.1934
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.0232 0.0232
Trypanosoma brucei nucleoside 2-deoxyribosyltransferase 0.0285 0.325 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0115 0.0527
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0093 0.011
Trichomonas vaginalis conserved hypothetical protein 0.0205 0.2187 0.6728
Trypanosoma cruzi hypothetical protein 0.0285 0.325 1
Echinococcus multilocularis microtubule associated protein 2 0.0676 0.8442 0.8442
Brugia malayi Bm-MIF-1, identical 0.0205 0.2187 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.0484 0.0573
Brugia malayi jmjC domain containing protein 0.0058 0.0232 0.106
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0205 0.2187 0.6728
Trypanosoma cruzi hypothetical protein 0.0285 0.325 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.0484 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0093 0.0093
Schistosoma mansoni hypothetical protein 0.0166 0.1671 0.1979
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0205 0.2187 1
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0093 0.011
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0484 0.5
Echinococcus granulosus muscleblind protein 0.0146 0.141 0.167
Echinococcus granulosus geminin 0.0166 0.1671 0.1979
Brugia malayi mbt repeat family protein 0.0047 0.0093 0.0424
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0139 0.1314 0.1557
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0484 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0115 0.0527
Echinococcus granulosus microtubule associated protein 2 0.0676 0.8442 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0484 0.2213
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0484 0.5
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.0484 1
Echinococcus granulosus lysine specific demethylase 5A 0.0058 0.0232 0.0274
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0179 0.0821
Leishmania major hypothetical protein, conserved 0.0285 0.325 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0139 0.1314 0.6011
Brugia malayi mbt repeat family protein 0.0047 0.0093 0.0424
Schistosoma mansoni hypothetical protein 0.0166 0.1671 0.1979
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0093 0.0424
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0133 0.0158
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0205 0.2187 1
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0093 0.011
Echinococcus multilocularis muscleblind protein 0.0146 0.141 0.141
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0133 0.0133
Loa Loa (eye worm) hypothetical protein 0.0077 0.0484 0.2213
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0232 0.0274
Onchocerca volvulus 0.0148 0.1432 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.141 0.6446
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0139 0.1314 0.1557
Echinococcus multilocularis muscleblind protein 1 0.0146 0.141 0.141
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.0232 0.0232
Brugia malayi hypothetical protein 0.0148 0.1432 0.6549
Brugia malayi Muscleblind-like protein 0.0146 0.141 0.6446
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0232 0.106
Loa Loa (eye worm) hypothetical protein 0.0054 0.0179 0.0821
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0139 0.1314 0.1557
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.0484 0.0573
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0133 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.0232 0.0274
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0179 0.0179
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0139 0.1314 0.1314
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0179 0.0213
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0139 0.1314 0.1557
Loa Loa (eye worm) hypothetical protein 0.0047 0.0093 0.0424
Loa Loa (eye worm) hypothetical protein 0.0146 0.141 0.6446
Plasmodium falciparum macrophage migration inhibitory factor 0.0205 0.2187 1
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0093 0.011
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0484 0.2213
Leishmania major macrophage migration inhibitory factor-like protein 0.0205 0.2187 0.6728
Schistosoma mansoni microtubule-associated protein tau 0.0676 0.8442 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0115 0.0527
Loa Loa (eye worm) hypothetical protein 0.0049 0.0115 0.0527
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0093 0.0093
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0133 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0484 0.5
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0205 0.2187 1
Leishmania major macrophage migration inhibitory factor-like protein 0.0205 0.2187 0.6728
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0139 0.1314 0.6011
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0139 0.1314 0.1557
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0205 0.2187 1
Trichomonas vaginalis conserved hypothetical protein 0.0285 0.325 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0232 0.0274
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0186 0.1934 0.2291
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0093 0.011

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7 uM Inhibition of MIF (unknown origin)-mediated dopachrome tautomerase activity ChEMBL. 17526494
IC50 (binding) = 7 uM Inhibition of MIF (unknown origin)-mediated dopachrome tautomerase activity ChEMBL. 17526494

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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