Detailed information for compound 107749

Basic information

Technical information
  • TDR Targets ID: 107749
  • Name: 2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1 ,3-oxazol-5-yl]-N-methylbenzamide
  • MW: 390.392 | Formula: C21H18N4O4
  • H donors: 2 H acceptors: 3 LogP: 3.2 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)c1ccccc1c1cnc(o1)Nc1ccc(c(c1)OC)c1cnco1
  • InChi: 1S/C21H18N4O4/c1-22-20(26)15-6-4-3-5-14(15)19-11-24-21(29-19)25-13-7-8-16(17(9-13)27-2)18-10-23-12-28-18/h3-12H,1-2H3,(H,22,26)(H,24,25)
  • InChiKey: DMPIZWVYFFQKQT-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[2-(3-methoxy-4-oxazol-5-yl-anilino)oxazol-5-yl]-N-methyl-benzamide
  • 2-[2-[3-methoxy-4-(5-oxazolyl)anilino]-5-oxazolyl]-N-methylbenzamide
  • 2-[2-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]amino]-1,3-oxazol-5-yl]-N-methyl-benzamide
  • 2-[2-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]amino]-1,3-oxazol-5-yl]-N-methylbenzamide
  • 2-[2-[(3-methoxy-4-oxazol-5-yl-phenyl)amino]oxazol-5-yl]-N-methyl-benzamide
  • 2-[2-[[3-methoxy-4-(5-oxazolyl)phenyl]amino]-5-oxazolyl]-N-methylbenzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens IMP (inosine 5'-monophosphate) dehydrogenase 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania mexicana guanosine monophosphate reductase Get druggable targets OG5_126887 All targets in OG5_126887
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Plasmodium knowlesi inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma brucei GMP reductase Get druggable targets OG5_126887 All targets in OG5_126887
Theileria parva Inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania major inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Candida albicans guanosine nucleotide biosynthesis Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania braziliensis guanosine monophosphate reductase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma congolense GMP reductase Get druggable targets OG5_126887 All targets in OG5_126887
Plasmodium yoelii inosine-5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Plasmodium berghei inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania infantum inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Schistosoma mansoni inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania donovani GMP reductase Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma brucei gambiense inosine-5-monophosphate dehydrogenase,IMP dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma brucei gambiense inosine-5-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) Get druggable targets OG5_126887 All targets in OG5_126887
Toxoplasma gondii IMP dehydrogenas Get druggable targets OG5_126887 All targets in OG5_126887
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 Get druggable targets OG5_126887 All targets in OG5_126887
Candida albicans N terminus of Inosine-5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania mexicana inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Babesia bovis inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma cruzi GMP reductase Get druggable targets OG5_126887 All targets in OG5_126887
Neospora caninum hypothetical protein Get druggable targets OG5_126887 All targets in OG5_126887
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania braziliensis inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Loa Loa (eye worm) IMP dehydrogenase 1 Get druggable targets OG5_126887 All targets in OG5_126887
Cryptosporidium hominis inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma cruzi GMP reductase Get druggable targets OG5_126887 All targets in OG5_126887
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena Get druggable targets OG5_126887 All targets in OG5_126887
Schistosoma japonicum ko:K00088 IMP dehydrogenase [EC1.1.1.205], putative Get druggable targets OG5_126887 All targets in OG5_126887
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 Get druggable targets OG5_126887 All targets in OG5_126887
Candida albicans guanosine nucleotide biosynthesis Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Candida albicans N terminus of Inosine-5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania donovani inosine-5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania infantum guanosine monophosphate reductase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Cryptosporidium parvum inosine-5-monophosphate dehydrogenase Get druggable targets OG5_126887 All targets in OG5_126887
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania major guanosine monophosphate reductase Get druggable targets OG5_126887 All targets in OG5_126887

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
Trypanosoma brucei hypothetical protein, conserved 0.0114 0.0454 0.0611
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0267 0.3142 0.7462
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0287 0.3499 0.5
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0412 0.5699 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0287 0.3499 0.9999
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0412 0.5699 1
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0287 0.3499 0.6062
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0114 0.0454 0.0611
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0287 0.3499 0.9999
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0095 0.0112 0.0197
Loa Loa (eye worm) serotonin transporter b 0.0234 0.256 0.438
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0095 0.0112 0.0197
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0095 0.0112 0.5
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0412 0.5699 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0412 0.5699 0.3384
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0412 0.5699 1
Trypanosoma brucei hypothetical protein, conserved 0.0114 0.0454 0.0611
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0412 0.5699 1
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0412 0.5699 1
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0095 0.0112 0.5
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0412 0.5699 1
Loa Loa (eye worm) norepinephrine transporter 0.0234 0.256 0.438
Trypanosoma brucei Enriched in surface-labeled proteome protein 12 0.0114 0.0454 0.0611
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0412 0.5699 1
Loa Loa (eye worm) hypothetical protein 0.0234 0.256 0.438
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0412 0.5699 1
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0287 0.3499 0.6062
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0287 0.3499 0.834
Onchocerca volvulus 0.0287 0.3499 1
Loa Loa (eye worm) hypothetical protein 0.0234 0.256 0.438
Treponema pallidum sodium- and chloride- dependent transporter 0.0234 0.256 0.5
Echinococcus multilocularis serotonin transporter 0.0234 0.256 0.4491
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0412 0.5699 1
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0412 0.5699 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0234 0.256 0.438
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0114 0.0454 0.0611
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0412 0.5699 1
Loa Loa (eye worm) hypothetical protein 0.0234 0.256 0.438
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0114 0.0454 0.0611
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0095 0.0112 0.0285
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0412 0.5699 1
Echinococcus granulosus serotonin transporter 0.0234 0.256 0.4491
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0412 0.5699 1
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0114 0.0454 0.0611
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0287 0.3499 1
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0114 0.0454 0.0611
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0234 0.256 0.438
Schistosoma mansoni sodium/chloride dependent transporter 0.0234 0.256 0.4491
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0412 0.5699 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0412 0.5699 0.3384
Mycobacterium tuberculosis Probable enoyl-CoA hydratase EchA14 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase) 0.0325 0.4173 1
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0095 0.0112 0.0197
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0234 0.256 0.4491
Trichomonas vaginalis Sialidase-1 precursor, putative 0.0656 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 104 nM Inhibition of human inosine-5'-monophosphate dehydrogenase 2 ChEMBL. 12014950
IC50 (binding) = 104 nM Inhibition of human inosine-5'-monophosphate dehydrogenase 2 ChEMBL. 12014950
IC50 (functional) = 8 uM In vitro secondary T-cell (CEM) proliferation assay ChEMBL. 12014950
IC50 (functional) = 8 uM In vitro secondary T-cell (CEM) proliferation assay ChEMBL. 12014950

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 12014950

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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