Detailed information for compound 32950

Basic information

Technical information
  • TDR Targets ID: 32950
  • Name: N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-(3 -methylphenyl)propanediamide
  • MW: 365.383 | Formula: C20H19N3O4
  • H donors: 2 H acceptors: 3 LogP: 3.62 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1c1cnco1)NC(=O)CC(=O)Nc1cccc(c1)C
  • InChi: 1S/C20H19N3O4/c1-13-4-3-5-14(8-13)22-19(24)10-20(25)23-15-6-7-16(17(9-15)26-2)18-11-21-12-27-18/h3-9,11-12H,10H2,1-2H3,(H,22,24)(H,23,25)
  • InChiKey: BIOXMABCPDQHQM-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(3-methoxy-4-oxazol-5-yl-phenyl)-N'-(m-tolyl)propanediamide
  • N-[3-methoxy-4-(5-oxazolyl)phenyl]-N'-(m-tolyl)propanediamide
  • N-(3-methoxy-4-oxazol-5-yl-phenyl)-N'-(m-tolyl)malonamide
  • N-(3-methoxy-4-oxazol-5-yl-phenyl)-N'-(3-methylphenyl)propanediamide
  • N-[3-methoxy-4-(5-oxazolyl)phenyl]-N'-(3-methylphenyl)propanediamide
  • N-(3-methoxy-4-oxazol-5-yl-phenyl)-N'-(3-methylphenyl)malonamide

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
Trypanosoma cruzi GMP reductase Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania donovani GMP reductase 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
Trypanosoma congolense GMP 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
Cryptosporidium hominis inosine-5-monophosphate dehydrogenase 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
Schistosoma japonicum ko:K00088 IMP dehydrogenase [EC1.1.1.205], 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
Babesia bovis 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
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 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
Leishmania donovani inosine-5'-monophosphate dehydrogenase 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
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 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
Leishmania mexicana guanosine monophosphate reductase 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
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
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 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
Loa Loa (eye worm) IMP dehydrogenase 1 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 ulcerans inosine 5-monophosphate dehydrogenase 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
Candida albicans guanosine nucleotide biosynthesis Get druggable targets OG5_126887 All targets in OG5_126887
Toxoplasma gondii IMP dehydrogenas 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
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 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
Leishmania braziliensis 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
Neospora caninum hypothetical protein 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
Candida albicans N terminus of Inosine-5'-monophosphate dehydrogenase 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
Plasmodium vivax 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
Candida albicans guanosine nucleotide biosynthesis 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
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 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
Trypanosoma cruzi GMP reductase 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
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 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

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
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0095 1 1
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0065 0.3393 0.3393
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0089 0.875 0.8108
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0089 0.875 0.5
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0065 0.3393 0.3393
Toxoplasma gondii IMP dehydrogenas 0.0095 1 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0065 0.3393 0.3393
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0065 0.3393 0.3393
Trypanosoma brucei GMP reductase 0.0095 1 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0095 1 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0065 0.3393 0.3393
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0095 1 1
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0065 0.3393 0.3393
Mycobacterium leprae Conserved hypothetical protein 0.0065 0.3393 0.3393
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0065 0.3393 0.3393
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0095 1 1
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0089 0.875 0.5
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0095 1 0.5
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0095 1 1
Leishmania major inosine-5-monophosphate dehydrogenase 0.0095 1 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0065 0.3393 0.3393
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0065 0.3393 0.3393
Loa Loa (eye worm) IMP dehydrogenase 1 0.0095 1 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0065 0.3393 0.3393
Trypanosoma cruzi GMP reductase 0.0095 1 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0065 0.3393 0.3393
Mycobacterium leprae putative cytochrome p450 0.0065 0.3393 0.3393
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0095 1 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0065 0.3393 0.3393
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0095 1 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0065 0.3393 0.3393
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0065 0.3393 0.3393
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0065 0.3393 0.3393
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0065 0.3393 0.3393
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0095 1 1
Leishmania major guanosine monophosphate reductase 0.0095 1 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0065 0.3393 0.3393
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0065 0.3393 0.3393
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0065 0.3393 0.3393
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0095 1 1
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0095 1 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0065 0.3393 0.3393
Trypanosoma cruzi GMP reductase 0.0095 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.44 uM Inhibition of human Inosine-5'-monophosphate dehydrogenase 2 ChEMBL. 11965381
IC50 (binding) = 0.44 uM Inhibition of human Inosine-5'-monophosphate dehydrogenase 2 ChEMBL. 11965381

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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