Detailed information for compound 155068

Basic information

Technical information
  • TDR Targets ID: 155068
  • Name: [2-[(Z)-6-[(2S,4S,5R)-2-(4-cyanophenyl)-4-pyr idin-3-yl-1,3-dioxan-5-yl]hex-4-enoyl]oxyphen yl] (Z)-6-[(2S,4S,5R)-2-(2-chlorophenyl)-4-(2 -hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoate
  • MW: 855.369 | Formula: C50H47ClN2O9
  • H donors: 1 H acceptors: 5 LogP: 8.46 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 2
  • SMILES: N#Cc1ccc(cc1)[C@H]1OC[C@H]([C@H](O1)c1cccnc1)C/C=C\CCC(=O)Oc1ccccc1OC(=O)CC/C=C\C[C@@H]1CO[C@@H](O[C@@H]1c1ccccc1O)c1ccccc1Cl
  • InChi: 1S/C50H47ClN2O9/c51-41-19-9-7-17-39(41)50-58-33-38(48(62-50)40-18-8-10-20-42(40)54)15-4-2-6-24-46(56)60-44-22-12-11-21-43(44)59-45(55)23-5-1-3-14-37-32-57-49(35-27-25-34(30-52)26-28-35)61-47(37)36-16-13-29-53-31-36/h1-4,7-13,16-22,25-29,31,37-38,47-50,54H,5-6,14-15,23-24,32-33H2/b3-1-,4-2-/t37-,38-,47-,48+,49+,50+/m1/s1
  • InChiKey: VAQSKICDKGIOMV-BUPKHEAXSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(Z)-6-[(2S,4S,5R)-2-(4-cyanophenyl)-4-(3-pyridyl)-1,3-dioxan-5-yl]hex-4-enoyl]oxyphenyl] (Z)-6-[(2S,4S,5R)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoate
  • (Z)-6-[(2S,4S,5R)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]-4-hexenoic acid [2-[(Z)-6-[(2S,4S,5R)-2-(4-cyanophenyl)-4-(3-pyridyl)-1,3-dioxan-5-yl]-1-oxohex-4-enoxy]phenyl] ester
  • (Z)-6-[(2S,4S,5R)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoic acid [2-[(Z)-6-[(2S,4S,5R)-2-(4-cyanophenyl)-4-(3-pyridyl)-1,3-dioxan-5-yl]hex-4-enoyl]oxyphenyl] ester
  • (Z)-6-[(2S,4S,5R)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoic acid [2-[(Z)-6-[(2S,4S,5R)-2-(4-cyanophenyl)-4-(3-pyridyl)-1,3-dioxan-5-yl]-1-oxohex-4-enoxy]phenyl] ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thromboxane A2 receptor Starlite/ChEMBL No references
Homo sapiens thromboxane A synthase 1 (platelet) 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
Trypanosoma brucei cytochrome P450, putative thromboxane A synthase 1 (platelet) 534 aa 498 aa 21.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii oxidoreductase, putative 0.0009 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0009 0.5 0.5
Schistosoma mansoni 3-keto-dihydrosphingosine reductase 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0009 0.5 0.5
Trypanosoma cruzi short chain dehydrogenase, putative 0.0009 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.5 0.5
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Plasmodium vivax steroid dehydrogenase, putative 0.0009 0.5 0.5
Echinococcus multilocularis epidermal retinal dehydrogenase 2 0.0009 0.5 0.5
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0009 0.5 0.5
Plasmodium falciparum oxidoreductase, short-chain dehydrogenase family, putative 0.0009 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0009 0.5 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0009 0.5 0.5
Toxoplasma gondii sterol carrier protein-2 HAD-2SCP-2 0.0009 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0009 0.5 0.5
Echinococcus granulosus Dehydrogenase:reductase SDR family 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0009 0.5 0.5
Mycobacterium ulcerans oxidoreductase 0.0009 0.5 0.5
Giardia lamblia Oxidoreductase, short chain dehydrogenase/reductase family 0.0009 0.5 0.5
Echinococcus granulosus retinol dehydrogenase 11 0.0009 0.5 0.5
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.0009 0.5 0.5
Leishmania major 3-keto-dihydrosphingosine reductase 0.0009 0.5 0.5
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0009 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0009 0.5 0.5
Mycobacterium tuberculosis Possible ketoacyl reductase 0.0009 0.5 0.5
Mycobacterium leprae PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE 0.0009 0.5 0.5
Plasmodium falciparum steroid dehydrogenase, putative 0.0009 0.5 0.5
Entamoeba histolytica short chain dehydrogenase family protein 0.0009 0.5 0.5
Schistosoma mansoni carbonyl reductase 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Brugia malayi Dehydrogenases, short chain protein 2 0.0009 0.5 0.5
Trypanosoma brucei 3-ketoacyl-CoA reductase, putative 0.0009 0.5 0.5
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Schistosoma mansoni retinal dehydrogenase 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type oxidoreductase 0.0009 0.5 0.5
Entamoeba histolytica short chain dehydrogenase family protein 0.0009 0.5 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0009 0.5 0.5
Giardia lamblia Hypothetical protein 0.0009 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Mycobacterium tuberculosis Decaprenylphosphoryl-D-2-keto erythro pentose reductase 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0009 0.5 0.5
Brugia malayi oxidoreductase 0.0009 0.5 0.5
Brugia malayi hypothetical protein 0.0009 0.5 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0009 0.5 0.5
Echinococcus granulosus steroid dehydrogenase 0.0009 0.5 0.5
Echinococcus multilocularis Dehydrogenase:reductase SDR family 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Mycobacterium leprae ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE 0.0009 0.5 0.5
Trypanosoma brucei beta-D-hydroxybutyrate dehydrogenase 0.0009 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0009 0.5 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0009 0.5 0.5
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0009 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0009 0.5 0.5
Mycobacterium ulcerans oxidoreductase 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0009 0.5 0.5
Echinococcus granulosus hypothetical protein 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Trypanosoma cruzi short chain dehydrogenase, putative 0.0009 0.5 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0009 0.5 0.5
Trichomonas vaginalis estradiol 17 beta-dehydrogenase, putative 0.0009 0.5 0.5
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0009 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0009 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Echinococcus multilocularis steroid dehydrogenase 0.0009 0.5 0.5
Mycobacterium tuberculosis Possible fatty acyl-CoA reductase 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Leishmania major short chain dehydrogenase/reductase, putative 0.0009 0.5 0.5
Loa Loa (eye worm) dehydrogenase 0.0009 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0009 0.5 0.5
Giardia lamblia Reductase, putative 0.0009 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Trypanosoma brucei beta-ketoacyl-ACP reductase 2 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Toxoplasma gondii carbonyl reductase 1, putative 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Mycobacterium leprae Probable oxidoreductase 0.0009 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.5 0.5
Echinococcus multilocularis oxidoreductase 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0009 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0009 0.5 0.5
Brugia malayi Dehydrogenases, short chain protein 30 0.0009 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable shortchain dehydrogenase 0.0009 0.5 0.5
Trypanosoma brucei beta-ketoacyl-ACP reductase 3, putative 0.0009 0.5 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Echinococcus granulosus carbonyl reductase 1 0.0009 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0009 0.5 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0009 0.5 0.5
Schistosoma mansoni oxidoreductase short chain dehydrogenase/reductase family 0.0009 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0009 0.5 0.5
Echinococcus granulosus 3 ketodihydrosphingosine reductase 0.0009 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain type oxidoreductase 0.0009 0.5 0.5
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0009 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Echinococcus granulosus retinol dehydrogenase 11 0.0009 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0009 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Plasmodium vivax hypothetical protein, conserved 0.0009 0.5 0.5
Toxoplasma gondii oxidoreductase, putative 0.0009 0.5 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0009 0.5 0.5
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0009 0.5 0.5
Echinococcus multilocularis 3 ketodihydrosphingosine reductase 0.0009 0.5 0.5
Echinococcus multilocularis retinol dehydrogenase 11 0.0009 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Leishmania major oxidoreductase-like protein 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Mycobacterium ulcerans carveol-like dehydrogenase 0.0009 0.5 0.5
Trypanosoma brucei oxidoreductase-like protein 0.0009 0.5 0.5
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0009 0.5 0.5
Entamoeba histolytica 3-ketodihydrosphingosine reductase protein, putative 0.0009 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0009 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.5 0.5
Mycobacterium ulcerans dehydrogenase 0.0009 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0009 0.5 0.5
Brugia malayi dehydrogenases, short chain protein 9 0.0009 0.5 0.5
Brugia malayi Hypothetical oxidoreductase F56D1.5 0.0009 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0009 0.5 0.5
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0009 0.5 0.5
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0009 0.5 0.5
Trypanosoma brucei 3-keto-dihydrosphingosine reductase 0.0009 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0009 0.5 0.5
Entamoeba histolytica oxidoreductase, short chain dehydrogenase/reductase family 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Echinococcus granulosus carbonyl reductase 1 0.0009 0.5 0.5
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0009 0.5 0.5
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0009 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0009 0.5 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0009 0.5 0.5
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0009 0.5 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0009 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0009 0.5 0.5
Giardia lamblia Short-chain dehydrogenase, putative 0.0009 0.5 0.5
Leishmania major short chain dehydrogenase, putative 0.0009 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0009 0.5 0.5
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0009 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0009 0.5 0.5
Mycobacterium tuberculosis Possible iron-regulated short-chain dehydrogenase/reductase 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable short-chain dehydrogenase/reductase 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Onchocerca volvulus Sepiapterin reductase homolog 0.0009 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0009 0.5 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0009 0.5 0.5
Trichomonas vaginalis steroid dehydrogenase, putative 0.0009 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0009 0.5 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0009 0.5 0.5
Leishmania major short chain dehydrogenase, putative 0.0009 0.5 0.5
Mycobacterium ulcerans ketoacyl reductase 0.0009 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0009 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0009 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0009 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Leishmania major short chain dehydrogenase-like protein 0.0009 0.5 0.5
Loa Loa (eye worm) dehydrogenase 0.0009 0.5 0.5
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0009 0.5 0.5
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 1 homolog 0.0009 0.5 0.5
Brugia malayi hypothetical protein 0.0009 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Mycobacterium ulcerans ketoacyl reductase 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0009 0.5 0.5
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0009 0.5 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0009 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.5 0.5
Schistosoma mansoni carbonyl reductase 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Echinococcus multilocularis retinol dehydrogenase 13 0.0009 0.5 0.5
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Trypanosoma cruzi quinonoid dihydropteridine reductase, putative 0.0009 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.5 0.5
Mycobacterium tuberculosis Possible short-chain dehydrogenase EphD 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Brugia malayi D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor 0.0009 0.5 0.5
Mycobacterium ulcerans dehydrogenase/reductase 0.0009 0.5 0.5
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0009 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenases/reductase, putative 0.0009 0.5 0.5
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0009 0.5 0.5
Schistosoma mansoni short-chain dehydrogenase/reductase 0.0009 0.5 0.5
Echinococcus multilocularis retinol dehydrogenase 11 0.0009 0.5 0.5
Schistosoma mansoni carbonyl reductase 0.0009 0.5 0.5
Echinococcus granulosus WW domain containing oxidoreductase 0.0009 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Echinococcus granulosus epidermal retinal dehydrogenase 2 0.0009 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Leishmania major short chain dehydrogenase/reductase, putative 0.0009 0.5 0.5
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Mycobacterium ulcerans ketoacyl reductase 0.0009 0.5 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0009 0.5 0.5
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0009 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0009 0.5 0.5
Entamoeba histolytica hypothetical protein 0.0009 0.5 0.5
Leishmania major dehydrogenase-like protein 0.0009 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0009 0.5 0.5
Mycobacterium ulcerans dehydrogenase/decarboxylase protein 0.0009 0.5 0.5
Echinococcus granulosus carbonyl reductase 1 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable short chain alcohol dehydrogenase/reductase 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0009 0.5 0.5
Echinococcus granulosus oxidoreductase 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Brugia malayi dehydrogenases, short chain protein 2 0.0009 0.5 0.5
Echinococcus granulosus carbonyl reductase 1 0.0009 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0009 0.5 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Echinococcus multilocularis steroid dehydrogenase 0.0009 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0009 0.5 0.5
Echinococcus granulosus hypothetical protein 0.0009 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.5 0.5
Mycobacterium tuberculosis Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1 0.0009 0.5 0.5
Echinococcus multilocularis estradiol 17 beta dehydrogenase 12 0.0009 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain membrane-associated dehydrogenase 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Trichomonas vaginalis hydroxyacyl dehydrogenase, putative 0.0009 0.5 0.5
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0009 0.5 0.5
Echinococcus multilocularis conserved hypothetical protein 0.0009 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0009 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Echinococcus multilocularis transient receptor potential cation channel 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0009 0.5 0.5
Leishmania major pteridine reductase 1 0.0009 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0009 0.5 0.5
Brugia malayi Retinol dehydrogenase 12 0.0009 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0009 0.5 0.5
Toxoplasma gondii 3-ketoacyl-CoA reductase, putative 0.0009 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0009 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0009 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10 uM Compound was tested for thromboxane TXA2 synthase inhibitory activity using human platelet ChEMBL. No reference
IC50 (binding) > 10 uM Compound was tested for thromboxane TXA2 synthase inhibitory activity using human platelet ChEMBL. No reference
Inhibition (functional) = 31 % Compound was evaluated for inhibition of TXA2 synthase by measuring collagen stimulated TXB2 production in the blood samples after 2 hr time at a dose of 0.05 mg/kg ChEMBL. No reference
Inhibition (functional) = 31 % Compound was evaluated for inhibition of TXA2 synthase by measuring collagen stimulated TXB2 production in the blood samples after 2 hr time at a dose of 0.05 mg/kg ChEMBL. No reference
Inhibition (functional) = 54 % Compound was evaluated for inhibition of TXA2 synthase by measuring collagen stimulated TXB2 production in the blood samples after 2 hr time at a dose of 0.05 mg/kg ChEMBL. No reference
Inhibition (functional) = 54 % Compound was evaluated for inhibition of TXA2 synthase by measuring collagen stimulated TXB2 production in the blood samples after 2 hr time at a dose of 0.05 mg/kg ChEMBL. No reference
Inhibition (functional) = 57 % Compound was evaluated for inhibition of TXA2 synthase by measuring collagen stimulated TXB2 production in the blood samples after 8 hr time at a dose of 0.05 mg/kg ChEMBL. No reference
Inhibition (functional) = 57 % Compound was evaluated for inhibition of TXA2 synthase by measuring collagen stimulated TXB2 production in the blood samples after 8 hr time at a dose of 0.05 mg/kg ChEMBL. No reference
Inhibition (functional) = 64 % Compound was evaluated for inhibition of TXA2 synthase by measuring collagen stimulated TXB2 production in the blood samples after 8 hr time at a dose of 0.05 mg/kg ChEMBL. No reference
Inhibition (functional) = 64 % Compound was evaluated for inhibition of TXA2 synthase by measuring collagen stimulated TXB2 production in the blood samples after 8 hr time at a dose of 0.05 mg/kg ChEMBL. No reference
Kd (functional) = 5 Thromboxane (TXA2) receptor antagonist activity using human platelet ChEMBL. No reference
pA2 (functional) = 5 Thromboxane (TXA2) receptor antagonist activity using human platelet ChEMBL. No reference
Ratio (functional) = 35 Compound was tested for plasma concentration ratio at 2 hr in conscious dogs at specified time intervals at a dose of 0.05 mg/kg. ChEMBL. No reference
Ratio (functional) = 140 Compound was tested for plasma concentration ratio at 2 hr in conscious dogs at specified time intervals at a dose of 0.05 mg/kg. ChEMBL. No reference
Ratio (functional) = 150 Compound was tested for plasma concentration ratio at 8 hr in conscious dogs at specified time intervals at a dose of 0.05 mg/kg. ChEMBL. No reference
Ratio (functional) = 170 Compound was tested for plasma concentration ratio at 8 hr in conscious dogs at specified time intervals at a dose of 0.05 mg/kg. 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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