Detailed information for compound 1401084

Basic information

Technical information
  • TDR Targets ID: 1401084
  • Name: 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phen ylpteridin-7-one
  • MW: 338.361 | Formula: C18H18N4O3
  • H donors: 0 H acceptors: 3 LogP: 1.86 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ncc2c(n1)n(C[C@H]1CCCO1)c(=O)c(n2)c1ccccc1
  • InChi: 1S/C18H18N4O3/c1-24-18-19-10-14-16(21-18)22(11-13-8-5-9-25-13)17(23)15(20-14)12-6-3-2-4-7-12/h2-4,6-7,10,13H,5,8-9,11H2,1H3/t13-/m1/s1
  • InChiKey: OULWOPRNRGKOBX-CYBMUJFWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-methoxy-6-phenyl-8-[[(2R)-tetrahydrofuran-2-yl]methyl]pteridin-7-one
  • 2-methoxy-6-phenyl-8-[[(2R)-2-tetrahydrofuranyl]methyl]-7-pteridinone
  • 2-methoxy-6-phenyl-8-(tetrahydrofurfuryl)pteridin-7-one
  • 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-pteridin-7-one
  • NCGC00011214
  • PCOP-401466

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0005 0.5 0.5
Echinococcus multilocularis steroid dehydrogenase 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Echinococcus granulosus hypothetical protein 0.0005 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0005 0.5 0.5
Mycobacterium tuberculosis Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Echinococcus multilocularis estradiol 17 beta dehydrogenase 12 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Brugia malayi dehydrogenases, short chain protein 2 0.0005 0.5 0.5
Echinococcus granulosus carbonyl reductase 1 0.0005 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0005 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0005 0.5 0.5
Brugia malayi Retinol dehydrogenase 12 0.0005 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0005 0.5 0.5
Toxoplasma gondii 3-ketoacyl-CoA reductase, putative 0.0005 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0005 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Trichomonas vaginalis hydroxyacyl dehydrogenase, putative 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain membrane-associated dehydrogenase 0.0005 0.5 0.5
Echinococcus multilocularis conserved hypothetical protein 0.0005 0.5 0.5
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Echinococcus multilocularis transient receptor potential cation channel 0.0005 0.5 0.5
Leishmania major pteridine reductase 1 0.0005 0.5 0.5
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0005 0.5 0.5
Schistosoma mansoni carbonyl reductase 0.0005 0.5 0.5
Echinococcus granulosus WW domain containing oxidoreductase 0.0005 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Echinococcus granulosus epidermal retinal dehydrogenase 2 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Leishmania major short chain dehydrogenase/reductase, putative 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Mycobacterium ulcerans dehydrogenase/reductase 0.0005 0.5 0.5
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0005 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenases/reductase, putative 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0005 0.5 0.5
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0005 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0005 0.5 0.5
Echinococcus multilocularis retinol dehydrogenase 11 0.0005 0.5 0.5
Schistosoma mansoni short-chain dehydrogenase/reductase 0.0005 0.5 0.5
Leishmania major dehydrogenase-like protein 0.0005 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans dehydrogenase/decarboxylase protein 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable short chain alcohol dehydrogenase/reductase 0.0005 0.5 0.5
Echinococcus granulosus carbonyl reductase 1 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Echinococcus granulosus oxidoreductase 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans ketoacyl reductase 0.0005 0.5 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0005 0.5 0.5
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0005 0.5 0.5
Entamoeba histolytica hypothetical protein 0.0005 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Loa Loa (eye worm) dehydrogenase 0.0005 0.5 0.5
Leishmania major short chain dehydrogenase-like protein 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Leishmania major short chain dehydrogenase, putative 0.0005 0.5 0.5
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0005 0.5 0.5
Mycobacterium ulcerans ketoacyl reductase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0005 0.5 0.5
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0005 0.5 0.5
Echinococcus multilocularis retinol dehydrogenase 13 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Trypanosoma cruzi quinonoid dihydropteridine reductase, putative 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium tuberculosis Possible short-chain dehydrogenase EphD 0.0005 0.5 0.5
Brugia malayi D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor 0.0005 0.5 0.5
Brugia malayi hypothetical protein 0.0005 0.5 0.5
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 1 homolog 0.0005 0.5 0.5
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Mycobacterium ulcerans ketoacyl reductase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0005 0.5 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0005 0.5 0.5
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0005 0.5 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Schistosoma mansoni carbonyl reductase 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans carveol-like dehydrogenase 0.0005 0.5 0.5
Trypanosoma brucei oxidoreductase-like protein 0.0005 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0005 0.5 0.5
Entamoeba histolytica 3-ketodihydrosphingosine reductase protein, putative 0.0005 0.5 0.5
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0005 0.5 0.5
Mycobacterium ulcerans dehydrogenase 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Brugia malayi dehydrogenases, short chain protein 9 0.0005 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0005 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0005 0.5 0.5
Brugia malayi Hypothetical oxidoreductase F56D1.5 0.0005 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0005 0.5 0.5
Trypanosoma brucei 3-keto-dihydrosphingosine reductase 0.0005 0.5 0.5
Entamoeba histolytica oxidoreductase, short chain dehydrogenase/reductase family 0.0005 0.5 0.5
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0005 0.5 0.5
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0005 0.5 0.5
Echinococcus granulosus carbonyl reductase 1 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Echinococcus multilocularis retinol dehydrogenase 11 0.0005 0.5 0.5
Echinococcus multilocularis 3 ketodihydrosphingosine reductase 0.0005 0.5 0.5
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Leishmania major oxidoreductase-like protein 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable short-chain dehydrogenase/reductase 0.0005 0.5 0.5
Mycobacterium tuberculosis Possible iron-regulated short-chain dehydrogenase/reductase 0.0005 0.5 0.5
Onchocerca volvulus Sepiapterin reductase homolog 0.0005 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0005 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0005 0.5 0.5
Trichomonas vaginalis steroid dehydrogenase, putative 0.0005 0.5 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0005 0.5 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0005 0.5 0.5
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0005 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0005 0.5 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0005 0.5 0.5
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0005 0.5 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0005 0.5 0.5
Leishmania major short chain dehydrogenase, putative 0.0005 0.5 0.5
Giardia lamblia Short-chain dehydrogenase, putative 0.0005 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0005 0.5 0.5
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0005 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable shortchain dehydrogenase 0.0005 0.5 0.5
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0005 0.5 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Trypanosoma brucei beta-ketoacyl-ACP reductase 3, putative 0.0005 0.5 0.5
Echinococcus granulosus carbonyl reductase 1 0.0005 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0005 0.5 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0005 0.5 0.5
Schistosoma mansoni oxidoreductase short chain dehydrogenase/reductase family 0.0005 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0005 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0005 0.5 0.5
Echinococcus granulosus 3 ketodihydrosphingosine reductase 0.0005 0.5 0.5
Echinococcus multilocularis oxidoreductase 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Brugia malayi Dehydrogenases, short chain protein 30 0.0005 0.5 0.5
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Plasmodium vivax hypothetical protein, conserved 0.0005 0.5 0.5
Toxoplasma gondii oxidoreductase, putative 0.0005 0.5 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type oxidoreductase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0005 0.5 0.5
Echinococcus granulosus retinol dehydrogenase 11 0.0005 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0005 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0005 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0005 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Echinococcus multilocularis steroid dehydrogenase 0.0005 0.5 0.5
Mycobacterium tuberculosis Possible fatty acyl-CoA reductase 0.0005 0.5 0.5
Echinococcus granulosus hypothetical protein 0.0005 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0005 0.5 0.5
Trypanosoma cruzi short chain dehydrogenase, putative 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0005 0.5 0.5
Trichomonas vaginalis estradiol 17 beta-dehydrogenase, putative 0.0005 0.5 0.5
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0005 0.5 0.5
Trypanosoma brucei beta-ketoacyl-ACP reductase 2 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0005 0.5 0.5
Toxoplasma gondii carbonyl reductase 1, putative 0.0005 0.5 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Mycobacterium leprae Probable oxidoreductase 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Leishmania major short chain dehydrogenase/reductase, putative 0.0005 0.5 0.5
Loa Loa (eye worm) dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0005 0.5 0.5
Giardia lamblia Reductase, putative 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Giardia lamblia Hypothetical protein 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0005 0.5 0.5
Mycobacterium tuberculosis Decaprenylphosphoryl-D-2-keto erythro pentose reductase 0.0005 0.5 0.5
Brugia malayi oxidoreductase 0.0005 0.5 0.5
Brugia malayi hypothetical protein 0.0005 0.5 0.5
Brugia malayi Dehydrogenases, short chain protein 2 0.0005 0.5 0.5
Trypanosoma brucei 3-ketoacyl-CoA reductase, putative 0.0005 0.5 0.5
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0005 0.5 0.5
Schistosoma mansoni retinal dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type oxidoreductase 0.0005 0.5 0.5
Entamoeba histolytica short chain dehydrogenase family protein 0.0005 0.5 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0005 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0005 0.5 0.5
Mycobacterium ulcerans oxidoreductase 0.0005 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0005 0.5 0.5
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Echinococcus granulosus steroid dehydrogenase 0.0005 0.5 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0005 0.5 0.5
Echinococcus multilocularis Dehydrogenase:reductase SDR family 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium leprae ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE 0.0005 0.5 0.5
Trypanosoma brucei beta-D-hydroxybutyrate dehydrogenase 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Plasmodium vivax steroid dehydrogenase, putative 0.0005 0.5 0.5
Echinococcus multilocularis epidermal retinal dehydrogenase 2 0.0005 0.5 0.5
Plasmodium falciparum oxidoreductase, short-chain dehydrogenase family, putative 0.0005 0.5 0.5
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0005 0.5 0.5
Toxoplasma gondii oxidoreductase, putative 0.0005 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0005 0.5 0.5
Schistosoma mansoni 3-keto-dihydrosphingosine reductase 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0005 0.5 0.5
Trypanosoma cruzi short chain dehydrogenase, putative 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Echinococcus granulosus retinol dehydrogenase 11 0.0005 0.5 0.5
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.0005 0.5 0.5
Leishmania major 3-keto-dihydrosphingosine reductase 0.0005 0.5 0.5
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0005 0.5 0.5
Mycobacterium tuberculosis Possible ketoacyl reductase 0.0005 0.5 0.5
Mycobacterium leprae PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE 0.0005 0.5 0.5
Plasmodium falciparum steroid dehydrogenase, putative 0.0005 0.5 0.5
Entamoeba histolytica short chain dehydrogenase family protein 0.0005 0.5 0.5
Schistosoma mansoni carbonyl reductase 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0005 0.5 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0005 0.5 0.5
Toxoplasma gondii sterol carrier protein-2 HAD-2SCP-2 0.0005 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Echinococcus granulosus Dehydrogenase:reductase SDR family 0.0005 0.5 0.5
Mycobacterium ulcerans oxidoreductase 0.0005 0.5 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Giardia lamblia Oxidoreductase, short chain dehydrogenase/reductase family 0.0005 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 0.794328235 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 25.11886432 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference

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

No literature references available for this target.

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