Detailed information for compound 1377125

Basic information

Technical information
  • TDR Targets ID: 1377125
  • Name: (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(pyridin-4- ylmethyl)-3,9-diazaspiro[5.5]undecan-9-yl]met hanone
  • MW: 368.473 | Formula: C21H28N4O2
  • H donors: 0 H acceptors: 3 LogP: 2.18 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1onc(c1C(=O)N1CCC2(CC1)CCN(CC2)Cc1ccncc1)C
  • InChi: 1S/C21H28N4O2/c1-16-19(17(2)27-23-16)20(26)25-13-7-21(8-14-25)5-11-24(12-6-21)15-18-3-9-22-10-4-18/h3-4,9-10H,5-8,11-15H2,1-2H3
  • InChiKey: QMEYCXUCDBZCSF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3,5-dimethylisoxazol-4-yl)-[3-(4-pyridylmethyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone
  • (3,5-dimethyl-4-isoxazolyl)-[3-(4-pyridylmethyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone
  • NCGC00010564
  • PCOP-186676

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Decaprenylphosphoryl-D-2-keto erythro pentose reductase 0.0039 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.0039 1 1
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0039 1 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0039 1 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 1 1
Toxoplasma gondii 3-ketoacyl-CoA reductase, putative 0.0039 1 0.5
Plasmodium vivax steroid dehydrogenase, putative 0.0039 1 0.5
Schistosoma mansoni steroid dehydrogenase 0.0039 1 0.5
Leishmania major dehydrogenase-like protein 0.0039 1 1
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0039 1 1
Onchocerca volvulus 0.0039 1 0.5
Echinococcus multilocularis transient receptor potential cation channel 0.0039 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0039 1 0.5
Loa Loa (eye worm) oxidoreductase 0.0039 1 1
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 0.5
Schistosoma mansoni short chain dehydrogenase 0.0039 1 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0039 1 0.5
Loa Loa (eye worm) oxidoreductase 0.0039 1 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0039 1 1
Echinococcus multilocularis oxidoreductase 0.0039 1 0.5
Brugia malayi oxidoreductase 0.0039 1 1
Mycobacterium ulcerans dehydrogenase/decarboxylase protein 0.0039 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Onchocerca volvulus 0.0039 1 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0039 1 0.5
Leishmania major 3-keto-dihydrosphingosine reductase 0.0039 1 1
Echinococcus granulosus oxidoreductase 0.0039 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0039 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Mycobacterium tuberculosis Probable short chain alcohol dehydrogenase/reductase 0.0039 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 1 1
Trypanosoma brucei beta-ketoacyl-ACP reductase 2 0.0039 1 1
Mycobacterium leprae PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE 0.0039 1 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0039 1 0.5
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0039 1 0.5
Trichomonas vaginalis steroid dehydrogenase, putative 0.0039 1 0.5
Leishmania major short chain dehydrogenase, putative 0.0039 1 1
Schistosoma mansoni short chain dehydrogenase 0.0039 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 1 1
Echinococcus multilocularis Dehydrogenase:reductase SDR family 0.0039 1 0.5
Mycobacterium ulcerans carveol-like dehydrogenase 0.0039 1 1
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 1 homolog 0.0039 1 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0039 1 0.5
Schistosoma mansoni short chain dehydrogenase 0.0039 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 1 1
Onchocerca volvulus 0.0039 1 0.5
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0039 1 0.5
Echinococcus multilocularis retinol dehydrogenase 11 0.0039 1 0.5
Onchocerca volvulus 0.0039 1 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0039 1 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0039 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Loa Loa (eye worm) oxidoreductase 0.0039 1 1
Schistosoma mansoni short chain dehydrogenase 0.0039 1 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 1 1
Onchocerca volvulus 0.0039 1 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0039 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Giardia lamblia Reductase, putative 0.0039 1 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 1 1
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0039 1 0.5
Echinococcus granulosus steroid dehydrogenase 0.0039 1 0.5
Brugia malayi dehydrogenases, short chain protein 2 0.0039 1 1
Schistosoma mansoni short chain dehydrogenase 0.0039 1 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0039 1 0.5
Brugia malayi D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor 0.0039 1 1
Echinococcus multilocularis steroid dehydrogenase 0.0039 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 1
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0039 1 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0039 1 1
Toxoplasma gondii oxidoreductase, putative 0.0039 1 0.5
Echinococcus granulosus carbonyl reductase 1 0.0039 1 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0039 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 1
Mycobacterium leprae ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE 0.0039 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 1 1
Leishmania major quinonoid dihydropteridine reductase 0.0039 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 1 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.0039 1 1
Giardia lamblia Hypothetical protein 0.0039 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Loa Loa (eye worm) dehydrogenase 0.0039 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0039 1 1
Brugia malayi hypothetical protein 0.0039 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Brugia malayi Dehydrogenases, short chain protein 30 0.0039 1 1
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0039 1 0.5
Schistosoma mansoni steroid dehydrogenase 0.0039 1 0.5
Schistosoma mansoni steroid dehydrogenase 0.0039 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0039 1 0.5
Echinococcus granulosus epidermal retinal dehydrogenase 2 0.0039 1 0.5
Onchocerca volvulus 0.0039 1 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 1 1
Echinococcus multilocularis estradiol 17 beta dehydrogenase 12 0.0039 1 0.5
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0039 1 1
Brugia malayi hypothetical protein 0.0039 1 1
Mycobacterium tuberculosis Possible ketoacyl reductase 0.0039 1 0.5
Schistosoma mansoni steroid dehydrogenase 0.0039 1 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0039 1 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0039 1 0.5
Trypanosoma brucei beta-D-hydroxybutyrate dehydrogenase 0.0039 1 1
Mycobacterium tuberculosis Probable short-chain type oxidoreductase 0.0039 1 0.5
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0039 1 0.5
Echinococcus multilocularis 3 ketodihydrosphingosine reductase 0.0039 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 1 1
Mycobacterium ulcerans dehydrogenase 0.0039 1 1
Schistosoma mansoni steroid dehydrogenase 0.0039 1 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0039 1 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0039 1 1
Onchocerca volvulus 0.0039 1 0.5
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0039 1 1
Trichomonas vaginalis hydroxyacyl dehydrogenase, putative 0.0039 1 0.5
Echinococcus multilocularis retinol dehydrogenase 13 0.0039 1 0.5
Mycobacterium ulcerans dehydrogenase/reductase 0.0039 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0039 1 1
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0039 1 0.5
Mycobacterium tuberculosis Possible fatty acyl-CoA reductase 0.0039 1 0.5
Trypanosoma cruzi quinonoid dihydropteridine reductase, putative 0.0039 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Schistosoma mansoni oxidoreductase short chain dehydrogenase/reductase family 0.0039 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 1
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0039 1 0.5
Toxoplasma gondii sterol carrier protein-2 HAD-2SCP-2 0.0039 1 0.5
Mycobacterium ulcerans oxidoreductase 0.0039 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Leishmania major quinonoid dihydropteridine reductase 0.0039 1 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0039 1 1
Schistosoma mansoni short chain dehydrogenase 0.0039 1 0.5
Entamoeba histolytica short chain dehydrogenase family protein 0.0039 1 0.5
Mycobacterium ulcerans ketoacyl reductase 0.0039 1 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0039 1 1
Mycobacterium ulcerans short-chain dehydrogenase 0.0039 1 1
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0039 1 0.5
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0039 1 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0039 1 0.5
Schistosoma mansoni carbonyl reductase 0.0039 1 0.5
Mycobacterium ulcerans short-chain membrane-associated dehydrogenase 0.0039 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 1 1
Schistosoma mansoni steroid dehydrogenase 0.0039 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Echinococcus multilocularis carbonyl reductase 1 0.0039 1 0.5
Mycobacterium ulcerans oxidoreductase 0.0039 1 1
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0039 1 1
Echinococcus granulosus carbonyl reductase 1 0.0039 1 0.5
Leishmania major short chain dehydrogenase/reductase, putative 0.0039 1 1
Echinococcus multilocularis retinol dehydrogenase 11 0.0039 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 1 1
Echinococcus granulosus hypothetical protein 0.0039 1 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0039 1 0.5
Schistosoma mansoni short chain dehydrogenase 0.0039 1 0.5
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0039 1 1
Loa Loa (eye worm) oxidoreductase 0.0039 1 1
Echinococcus granulosus WW domain containing oxidoreductase 0.0039 1 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0039 1 0.5
Trypanosoma brucei 3-keto-dihydrosphingosine reductase 0.0039 1 1
Onchocerca volvulus 0.0039 1 0.5
Echinococcus granulosus retinol dehydrogenase 11 0.0039 1 0.5
Brugia malayi dehydrogenases, short chain protein 9 0.0039 1 1
Onchocerca volvulus Sepiapterin reductase homolog 0.0039 1 0.5
Schistosoma mansoni steroid dehydrogenase 0.0039 1 0.5
Trypanosoma brucei oxidoreductase-like protein 0.0039 1 1
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0039 1 1
Echinococcus granulosus Dehydrogenase:reductase SDR family 0.0039 1 0.5
Trypanosoma brucei beta-ketoacyl-ACP reductase 3, putative 0.0039 1 1
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0039 1 0.5
Onchocerca volvulus 0.0039 1 0.5
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0039 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Schistosoma mansoni short chain dehydrogenase 0.0039 1 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0039 1 1
Echinococcus multilocularis conserved hypothetical protein 0.0039 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Schistosoma mansoni carbonyl reductase 0.0039 1 0.5
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.0039 1 1
Brugia malayi Hypothetical oxidoreductase F56D1.5 0.0039 1 1
Brugia malayi Retinol dehydrogenase 12 0.0039 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0039 1 1
Loa Loa (eye worm) dehydrogenase 0.0039 1 1
Toxoplasma gondii carbonyl reductase 1, putative 0.0039 1 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0039 1 0.5
Echinococcus granulosus carbonyl reductase 1 0.0039 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 1
Mycobacterium ulcerans short-chain dehydrogenase 0.0039 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0039 1 0.5
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0039 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0039 1 1
Onchocerca volvulus 0.0039 1 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0039 1 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0039 1 1
Toxoplasma gondii oxidoreductase, putative 0.0039 1 0.5
Mycobacterium ulcerans short-chain type oxidoreductase 0.0039 1 1
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 1
Schistosoma mansoni short chain dehydrogenase 0.0039 1 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0039 1 1
Trypanosoma brucei 3-ketoacyl-CoA reductase, putative 0.0039 1 1
Schistosoma mansoni carbonyl reductase 0.0039 1 0.5
Brugia malayi Dehydrogenases, short chain protein 2 0.0039 1 1
Trichomonas vaginalis estradiol 17 beta-dehydrogenase, putative 0.0039 1 0.5
Leishmania major pteridine reductase 1 0.0039 1 1
Leishmania major oxidoreductase-like protein 0.0039 1 1
Leishmania major hypothetical protein, conserved 0.0039 1 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0039 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 1
Schistosoma mansoni steroid dehydrogenase 0.0039 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.0039 1 1
Schistosoma mansoni short chain dehydrogenase 0.0039 1 0.5
Schistosoma mansoni steroid dehydrogenase 0.0039 1 0.5
Giardia lamblia Short-chain dehydrogenase, putative 0.0039 1 0.5
Mycobacterium tuberculosis Possible short-chain dehydrogenase EphD 0.0039 1 0.5
Loa Loa (eye worm) oxidoreductase 0.0039 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0039 1 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0039 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 1
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0039 1 0.5
Onchocerca volvulus 0.0039 1 0.5
Entamoeba histolytica hypothetical protein 0.0039 1 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0039 1 1
Mycobacterium ulcerans ketoacyl reductase 0.0039 1 1
Onchocerca volvulus 0.0039 1 0.5
Leishmania major hypothetical protein, conserved 0.0039 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 1 1
Leishmania major short chain dehydrogenase/reductase, putative 0.0039 1 1
Leishmania major short chain dehydrogenase-like protein 0.0039 1 1
Echinococcus granulosus retinol dehydrogenase 11 0.0039 1 0.5
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0039 1 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0039 1 1
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 0.5
Leishmania major hypothetical protein, conserved 0.0039 1 1
Onchocerca volvulus 0.0039 1 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 1 1
Schistosoma mansoni 3-keto-dihydrosphingosine reductase 0.0039 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 1 1
Leishmania major short chain dehydrogenase, putative 0.0039 1 1
Mycobacterium ulcerans ketoacyl reductase 0.0039 1 1
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0039 1 1
Trypanosoma cruzi short chain dehydrogenase, putative 0.0039 1 1
Echinococcus granulosus 3 ketodihydrosphingosine reductase 0.0039 1 0.5
Giardia lamblia Oxidoreductase, short chain dehydrogenase/reductase family 0.0039 1 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0039 1 0.5
Plasmodium vivax hypothetical protein, conserved 0.0039 1 0.5
Mycobacterium leprae Probable oxidoreductase 0.0039 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 1
Schistosoma mansoni short-chain dehydrogenase/reductase 0.0039 1 0.5
Mycobacterium tuberculosis Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1 0.0039 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 1 1
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 1 0.5
Trichomonas vaginalis short-chain dehydrogenases/reductase, putative 0.0039 1 0.5
Schistosoma mansoni retinal dehydrogenase 0.0039 1 0.5
Mycobacterium tuberculosis Probable shortchain dehydrogenase 0.0039 1 0.5
Entamoeba histolytica oxidoreductase, short chain dehydrogenase/reductase family 0.0039 1 0.5
Schistosoma mansoni short chain dehydrogenase 0.0039 1 0.5
Schistosoma mansoni short chain dehydrogenase 0.0039 1 0.5
Plasmodium falciparum oxidoreductase, short-chain dehydrogenase family, putative 0.0039 1 0.5
Entamoeba histolytica short chain dehydrogenase family protein 0.0039 1 0.5
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0039 1 0.5
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0039 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 1 1
Schistosoma mansoni short chain dehydrogenase 0.0039 1 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0039 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0039 1 0.5
Schistosoma mansoni short chain dehydrogenase 0.0039 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Entamoeba histolytica 3-ketodihydrosphingosine reductase protein, putative 0.0039 1 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0039 1 1
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0039 1 0.5
Plasmodium falciparum steroid dehydrogenase, putative 0.0039 1 0.5
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0039 1 1
Loa Loa (eye worm) oxidoreductase 0.0039 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Loa Loa (eye worm) oxidoreductase 0.0039 1 1
Schistosoma mansoni steroid dehydrogenase 0.0039 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Mycobacterium tuberculosis Probable short-chain dehydrogenase/reductase 0.0039 1 0.5
Schistosoma mansoni short chain dehydrogenase 0.0039 1 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 1 1
Echinococcus granulosus carbonyl reductase 1 0.0039 1 0.5
Loa Loa (eye worm) oxidoreductase 0.0039 1 1
Leishmania major hypothetical protein, conserved 0.0039 1 1
Loa Loa (eye worm) oxidoreductase 0.0039 1 1
Leishmania major hypothetical protein, conserved 0.0039 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0039 1 0.5
Echinococcus granulosus hypothetical protein 0.0039 1 0.5
Echinococcus multilocularis steroid dehydrogenase 0.0039 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Echinococcus multilocularis epidermal retinal dehydrogenase 2 0.0039 1 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 1 1
Echinococcus multilocularis carbonyl reductase 1 0.0039 1 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0039 1 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0039 1 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0039 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0039 1 1
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0039 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 1 1
Trypanosoma cruzi short chain dehydrogenase, putative 0.0039 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 1 1
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0039 1 1
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0039 1 0.5
Mycobacterium tuberculosis Possible iron-regulated short-chain dehydrogenase/reductase 0.0039 1 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-cyp1a2 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) 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) = 12.58925412 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 (ADMET) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] 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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