Detailed information for compound 262381

Basic information

Technical information
  • TDR Targets ID: 262381
  • Name: 7-methoxy-2-[4-methyl-3-(oxolan-2-ylmethoxy)p henyl]-6-(1,3-oxazol-5-yl)-1H-quinolin-4-one
  • MW: 432.468 | Formula: C25H24N2O5
  • H donors: 1 H acceptors: 3 LogP: 4.29 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2nc(cc(c2cc1c1cnco1)O)c1ccc(c(c1)OCC1CCCO1)C
  • InChi: 1S/C25H24N2O5/c1-15-5-6-16(8-23(15)31-13-17-4-3-7-30-17)20-10-22(28)18-9-19(25-12-26-14-32-25)24(29-2)11-21(18)27-20/h5-6,8-12,14,17H,3-4,7,13H2,1-2H3,(H,27,28)
  • InChiKey: XJJOREHQWKYCLP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-methoxy-2-[4-methyl-3-(tetrahydrofuran-2-ylmethoxy)phenyl]-6-oxazol-5-yl-1H-quinolin-4-one
  • 7-methoxy-2-[4-methyl-3-(2-tetrahydrofuranylmethoxy)phenyl]-6-(5-oxazolyl)-1H-quinolin-4-one
  • 7-methoxy-2-[4-methyl-3-(tetrahydrofurfuryloxy)phenyl]-6-oxazol-5-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
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 guanosine nucleotide biosynthesis 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
Cryptosporidium parvum inosine-5-monophosphate 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
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
Mycobacterium ulcerans inosine 5-monophosphate 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
Trypanosoma brucei 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
Trypanosoma brucei GMP reductase 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
Schistosoma japonicum ko:K00088 IMP dehydrogenase [EC1.1.1.205], 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
Plasmodium falciparum 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
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
Cryptosporidium hominis 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
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 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
Babesia bovis inosine-5'-monophosphate dehydrogenase, putative 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
Plasmodium knowlesi inosine-5'-monophosphate 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
Plasmodium berghei inosine-5'-monophosphate dehydrogenase, putative 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
Theileria parva 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
Leishmania donovani GMP reductase Get druggable targets OG5_126887 All targets in OG5_126887
Toxoplasma gondii IMP dehydrogenas 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
Neospora caninum hypothetical protein 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,IMP 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
Trypanosoma congolense GMP reductase Get druggable targets OG5_126887 All targets in OG5_126887
Trypanosoma cruzi GMP 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
Leishmania braziliensis 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
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
Leishmania mexicana 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
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
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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1656 0.4827
Echinococcus multilocularis muscleblind protein 0.0167 0.618 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0022 0.0533 0.1582
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0029 0.0813 0.2413
Brugia malayi GMP reductase 0.0039 0.1201 0.1317
Leishmania major inosine-5-monophosphate dehydrogenase 0.0095 0.337 0.5
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0028 0.0745 0.0793
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0026 0.0674 0.0711
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0089 0.3149 0.9346
Mycobacterium ulcerans Type I modular polyketide synthase 0.0028 0.0745 0.2212
Loa Loa (eye worm) GMP reductase 0.0039 0.1201 0.1317
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0018 0.0377 0.112
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0095 0.337 0.5
Mycobacterium ulcerans polyketide synthase Pks13 0.0041 0.1283 0.3807
Mycobacterium ulcerans Type I modular polyketide synthase 0.0028 0.0745 0.2212
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0028 0.0745 0.2212
Toxoplasma gondii type I fatty acid synthase, putative 0.0029 0.0813 0.1914
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0045 0.1421 0.4218
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0962 0.1479
Toxoplasma gondii IMP dehydrogenas 0.0095 0.337 1
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.005 0.1607 0.4769
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0029 0.0813 0.2413
Mycobacterium ulcerans polyketide synthase Pks9 0.0018 0.0377 0.112
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0027 0.0712 0.2113
Loa Loa (eye worm) hypothetical protein 0.0047 0.1484 0.1644
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.002 0.0439 0.1304
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0962 0.2733
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0095 0.337 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0022 0.0533 0.1582
Trypanosoma cruzi GMP reductase 0.0095 0.337 0.5
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0023 0.0564 0.1675
Onchocerca volvulus 0.0048 0.155 0.1503
Leishmania major guanosine monophosphate reductase 0.0095 0.337 0.5
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0026 0.0674 0.2
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1656 0.2612
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.001 0.0032 0.0096
Brugia malayi Pre-SET motif family protein 0.0033 0.0962 0.1042
Echinococcus granulosus muscleblind protein 0.0167 0.618 1
Brugia malayi Muscleblind-like protein 0.0167 0.618 0.7048
Brugia malayi Pre-SET motif family protein 0.0232 0.8745 1
Mycobacterium tuberculosis Probable thioesterase TesA 0.0023 0.0564 0.1675
Loa Loa (eye worm) hypothetical protein 0.0167 0.618 0.7048
Loa Loa (eye worm) IMP dehydrogenase 1 0.0095 0.337 0.3814
Echinococcus multilocularis muscleblind protein 1 0.0167 0.618 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0232 0.8745 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0962 0.1479
Mycobacterium leprae Probable polyketide synthase Pks1 0.0029 0.0813 0.2413
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0028 0.0745 0.2212
Trichomonas vaginalis set domain proteins, putative 0.0264 1 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0962 0.2733
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0095 0.337 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1656 0.4827
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0095 0.337 0.5411
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0962 0.2733
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0022 0.0533 0.1582
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0028 0.0745 0.2212
Mycobacterium ulcerans polyketide synthase 0.0028 0.0745 0.2212
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0045 0.1421 0.4218
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0039 0.1201 0.1317
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.1656 0.1841
Loa Loa (eye worm) hypothetical protein 0.0033 0.0962 0.1042
Loa Loa (eye worm) hypothetical protein 0.0016 0.0268 0.0243
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0674 0.0711
Onchocerca volvulus 0.0033 0.0962 0.0911
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0089 0.3149 1
Toxoplasma gondii type I fatty acid synthase, putative 0.002 0.0432 0.071
Loa Loa (eye worm) hypothetical protein 0.0167 0.618 0.7048
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0029 0.0813 0.2413
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0039 0.1201 0.1317
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1656 0.4827
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1656 0.2612
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1656 0.2612
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0095 0.337 0.3814
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0028 0.0745 0.2212
Loa Loa (eye worm) fatty acid synthase 0.0027 0.0731 0.0777
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0095 0.337 0.5411
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0095 0.337 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0962 0.1479
Onchocerca volvulus Fatty acid synthase homolog 0.005 0.1618 0.157
Mycobacterium leprae Polyketide synthase Pks13 0.0041 0.1283 0.3807
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0095 0.337 0.5
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0041 0.1283 0.3807
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0016 0.0276 0.0821
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0095 0.337 0.5
Mycobacterium ulcerans Type I modular polyketide synthase 0.0028 0.0745 0.2212
Trypanosoma brucei GMP reductase 0.0095 0.337 0.5
Loa Loa (eye worm) acyl carrier protein 0.0013 0.0158 0.0118
Mycobacterium ulcerans polyketide synthase 0.0029 0.0813 0.2413
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0011 0.0098 0.0291
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0027 0.0712 0.2113
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0029 0.0813 0.2413
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1656 0.2612
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0018 0.0377 0.112
Onchocerca volvulus Putative GMP reductase 0.0039 0.1201 0.1151
Trypanosoma cruzi GMP reductase 0.0095 0.337 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.1656 0.1841
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.005 0.1607 0.4769
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0029 0.0813 0.2413
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0023 0.0547 0.1625
Onchocerca volvulus 0.0026 0.0674 0.0621
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0962 0.2733
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0914 0.1401
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0018 0.0364 0.0493
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0029 0.0813 0.2413
Mycobacterium ulcerans thioesterase TesA 0.0023 0.0564 0.1675
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0028 0.0745 0.2212
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0095 0.337 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0053 0.1719 0.1913
Mycobacterium ulcerans thioesterase 0.0023 0.0564 0.1675
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0029 0.0813 0.2413
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0028 0.0745 0.2212
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0095 0.337 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0962 0.2385
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0095 0.337 0.5
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0041 0.1283 0.3807
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0089 0.3149 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) < 0.005 uM Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II ChEMBL. 12565969
IC50 (binding) < 0.005 uM Inhibitory activity against inosine monophosphate dehydrogenase IMPDH II ChEMBL. 12565969
IC50 (functional) = 0.71 uM Inhibitory activity against proliferation of CEM cell line ChEMBL. 12565969
IC50 (functional) = 0.71 uM Inhibitory activity against proliferation of CEM cell line ChEMBL. 12565969

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 12565969

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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