Detailed information for compound 262259

Basic information

Technical information
  • TDR Targets ID: 262259
  • Name: 7-methoxy-6-(1,3-oxazol-5-yl)-2-(1,3-thiazol- 4-yl)-1H-quinolin-4-one
  • MW: 325.342 | Formula: C16H11N3O3S
  • H donors: 1 H acceptors: 4 LogP: 2.61 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2nc(cc(c2cc1c1cnco1)O)c1cscn1
  • InChi: 1S/C16H11N3O3S/c1-21-15-4-11-9(2-10(15)16-5-17-7-22-16)14(20)3-12(19-11)13-6-23-8-18-13/h2-8H,1H3,(H,19,20)
  • InChiKey: RAKSNQZFBDNSBW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-methoxy-6-oxazol-5-yl-2-thiazol-4-yl-1H-quinolin-4-one
  • 7-methoxy-6-(5-oxazolyl)-2-(4-thiazolyl)-1H-quinolin-4-one
  • 7-methoxy-6-oxazol-5-yl-2-thiazol-4-yl-4-quinolone

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
Leishmania mexicana inosine-5-monophosphate dehydrogenase 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
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
Leishmania donovani inosine-5'-monophosphate dehydrogenase 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
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 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 gambiense inosine-5-monophosphate dehydrogenase,IMP dehydrogenase, putative 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
Plasmodium berghei 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
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 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
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
Theileria parva Inosine-5'-monophosphate dehydrogenase, putative 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
Plasmodium yoelii inosine-5'-monophosphate dehydrogenase 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 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
Plasmodium vivax 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
Leishmania infantum guanosine monophosphate reductase, 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
Cryptosporidium parvum 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
Candida albicans guanosine nucleotide biosynthesis 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
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
Schistosoma japonicum ko:K00088 IMP dehydrogenase [EC1.1.1.205], putative Get druggable targets OG5_126887 All targets in OG5_126887
Leishmania donovani GMP reductase 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
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
Neospora caninum hypothetical protein 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 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
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
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
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
Plasmodium falciparum aldehyde reductase, putative 0.0122 0.1948 1
Mycobacterium leprae Possible oxidoreductase 0.0122 0.1948 0.1948
Mycobacterium ulcerans oxidoreductase 0.0422 1 1
Loa Loa (eye worm) oxidoreductase 0.0422 1 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0422 1 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0122 0.1948 0.0842
Mycobacterium leprae Conserved hypothetical protein 0.03 0.6717 0.6717
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0422 1 1
Echinococcus multilocularis aldo keto reductase 0.0422 1 1
Echinococcus granulosus aldo keto reductase 0.0422 1 1
Schistosoma mansoni aldo-keto reductase 0.0422 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0122 0.1948 0.0842
Loa Loa (eye worm) oxidoreductase 0.0422 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0422 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0422 1 1
Onchocerca volvulus 0.0422 1 1
Trypanosoma brucei aldo/keto reductase, putative 0.0122 0.1948 0.0842
Echinococcus multilocularis aldo keto reductase 0.0422 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0122 0.1948 0.0842
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0422 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0422 1 1
Leishmania major aldo-keto reductase-like protein 0.0422 1 1
Trypanosoma cruzi aldo-keto reductase 0.0422 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0422 1 1
Echinococcus granulosus aldo keto reductase 0.0422 1 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0122 0.1948 0.0842
Trichomonas vaginalis aldo/keto reductase, putative 0.0422 1 1
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0095 0.1208 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0422 1 1
Echinococcus multilocularis aldo keto reductase 0.0422 1 1
Schistosoma mansoni potassium channel beta 0.0122 0.1948 0.0842
Leishmania major prostaglandin f synthase, putative 0.0422 1 1
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0122 0.1948 0.0842
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0122 0.1948 1
Onchocerca volvulus 0.0422 1 1
Echinococcus multilocularis aldo keto reductase 0.0422 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0422 1 1
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0095 0.1208 0.0169
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0422 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0422 1 1
Schistosoma mansoni pol-related 0.0422 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0422 1 1
Onchocerca volvulus 0.0422 1 1
Entamoeba histolytica aldose reductase, putative 0.0422 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0122 0.1948 1
Brugia malayi NADH-dependent xylose reductase 0.0122 0.1948 0.0842
Trichomonas vaginalis aldo-keto reductase, putative 0.0422 1 1
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0095 0.1208 0.1208
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0422 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0422 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0422 1 1
Loa Loa (eye worm) oxidoreductase 0.0422 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0422 1 1
Loa Loa (eye worm) oxidoreductase 0.0422 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0422 1 1
Mycobacterium tuberculosis Conserved protein 0.0122 0.1948 0.1948
Mycobacterium ulcerans hypothetical protein 0.0122 0.1948 0.0997
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0422 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0422 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0422 1 1
Onchocerca volvulus 0.0422 1 1
Schistosoma mansoni aldo-keto reductase 0.0422 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0422 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0422 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0422 1 1
Entamoeba histolytica aldose reductase, putative 0.0422 1 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0122 0.1948 0.0842
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0422 1 1
Toxoplasma gondii aldo-keto reductase 0.0122 0.1948 0.0842
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0122 0.1948 0.0842
Trypanosoma brucei prostaglandin f synthase 0.0422 1 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0122 0.1948 0.0842
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0422 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0422 1 1
Giardia lamblia Aldose reductase 0.0422 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0422 1 1
Echinococcus granulosus hypothetical protein 0.0422 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0422 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0422 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0422 1 1
Onchocerca volvulus 0.0422 1 1
Onchocerca volvulus 0.0422 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0422 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0422 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0422 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0422 1 1
Toxoplasma gondii aldose reductase, putative 0.0422 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.0422 1 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0422 1 1
Entamoeba histolytica aldose reductase, putative 0.0422 1 1
Echinococcus granulosus aldehyde reductase 0.03 0.6717 0.6266
Trichomonas vaginalis aldo-keto reductase, putative 0.0422 1 1
Giardia lamblia Aldose reductase 0.0422 1 0.5
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0422 1 1
Echinococcus multilocularis aldehyde reductase 0.03 0.6717 0.6266
Loa Loa (eye worm) oxidoreductase 0.0422 1 1
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0095 0.1208 0.1208
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0422 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0422 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0422 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0422 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0422 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0422 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0422 1 1
Echinococcus granulosus aldo keto reductase 0.0422 1 1
Plasmodium vivax aldehyde reductase, putative 0.0122 0.1948 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0122 0.1948 0.0842
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0422 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.034 uM Inhibition of human inosine monophosphate dehydrogenase IMPDH II ChEMBL. 12565968
IC50 (binding) = 0.034 uM Inhibition of human inosine monophosphate dehydrogenase IMPDH II ChEMBL. 12565968

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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