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  

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 A synthase 1 (platelet) Starlite/ChEMBL No references
Homo sapiens thromboxane A2 receptor 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, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Brugia malayi Dehydrogenases, short chain protein 2 0.0009 0.5 0.5
Echinococcus multilocularis carbonyl reductase 1 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
Trypanosoma brucei short-chain dehydrogenase, putative 0.0009 0.5 0.5
Mycobacterium tuberculosis Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable short chain alcohol dehydrogenase/reductase 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 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
Plasmodium vivax hypothetical protein, conserved 0.0009 0.5 0.5
Trichomonas vaginalis estradiol 17 beta-dehydrogenase, putative 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0009 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0009 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0009 0.5 0.5
Schistosoma mansoni short-chain dehydrogenase/reductase 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, putative 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Echinococcus granulosus WW domain containing oxidoreductase 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 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
Onchocerca volvulus 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
Giardia lamblia Short-chain dehydrogenase, putative 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0009 0.5 0.5
Mycobacterium ulcerans dehydrogenase 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable shortchain 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
Entamoeba histolytica 3-ketodihydrosphingosine reductase protein, putative 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
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0009 0.5 0.5
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Echinococcus multilocularis retinol dehydrogenase 11 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.5 0.5
Echinococcus granulosus hypothetical protein 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0009 0.5 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 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
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0009 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0009 0.5 0.5
Giardia lamblia Reductase, putative 0.0009 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0009 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain type oxidoreductase 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0009 0.5 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0009 0.5 0.5
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0009 0.5 0.5
Trypanosoma brucei oxidoreductase-like protein 0.0009 0.5 0.5
Echinococcus granulosus carbonyl reductase 1 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable 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
Leishmania major short chain dehydrogenase-like protein 0.0009 0.5 0.5
Echinococcus granulosus 3 ketodihydrosphingosine reductase 0.0009 0.5 0.5
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0009 0.5 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 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
Entamoeba histolytica hypothetical protein, conserved 0.0009 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0009 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0009 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0009 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.5 0.5
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 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 ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0009 0.5 0.5
Schistosoma mansoni short chain 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 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
Trypanosoma cruzi hypothetical protein, conserved 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Onchocerca volvulus Sepiapterin reductase homolog 0.0009 0.5 0.5
Schistosoma mansoni 3-keto-dihydrosphingosine reductase 0.0009 0.5 0.5
Mycobacterium tuberculosis Decaprenylphosphoryl-D-2-keto erythro pentose reductase 0.0009 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0009 0.5 0.5
Entamoeba histolytica oxidoreductase, short chain dehydrogenase/reductase family 0.0009 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0009 0.5 0.5
Loa Loa (eye worm) hypothetical protein 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
Schistosoma mansoni steroid dehydrogenase 0.0009 0.5 0.5
Toxoplasma gondii oxidoreductase, putative 0.0009 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.5 0.5
Mycobacterium tuberculosis Possible ketoacyl reductase 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable 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
Loa Loa (eye worm) oxidoreductase 0.0009 0.5 0.5
Toxoplasma gondii 3-ketoacyl-CoA reductase, putative 0.0009 0.5 0.5
Echinococcus multilocularis conserved hypothetical protein 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Echinococcus multilocularis epidermal retinal dehydrogenase 2 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Brugia malayi dehydrogenases, short chain protein 9 0.0009 0.5 0.5
Trypanosoma cruzi quinonoid dihydropteridine reductase, putative 0.0009 0.5 0.5
Mycobacterium tuberculosis Possible iron-regulated short-chain dehydrogenase/reductase 0.0009 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Leishmania major 3-keto-dihydrosphingosine reductase 0.0009 0.5 0.5
Echinococcus multilocularis steroid dehydrogenase 0.0009 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0009 0.5 0.5
Onchocerca volvulus 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
Schistosoma mansoni steroid dehydrogenase 0.0009 0.5 0.5
Plasmodium vivax steroid dehydrogenase, putative 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable short-chain dehydrogenase/reductase 0.0009 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0009 0.5 0.5
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0009 0.5 0.5
Trypanosoma brucei beta-ketoacyl-ACP reductase 3, putative 0.0009 0.5 0.5
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0009 0.5 0.5
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 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
Mycobacterium ulcerans ketoacyl reductase 0.0009 0.5 0.5
Echinococcus multilocularis Dehydrogenase:reductase SDR family 0.0009 0.5 0.5
Trypanosoma brucei beta-D-hydroxybutyrate dehydrogenase 0.0009 0.5 0.5
Leishmania major dehydrogenase-like protein 0.0009 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Brugia malayi D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor 0.0009 0.5 0.5
Brugia malayi Dehydrogenases, short chain protein 30 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Echinococcus multilocularis 3 ketodihydrosphingosine reductase 0.0009 0.5 0.5
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0009 0.5 0.5
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 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 tuberculosis Probable short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Entamoeba histolytica short chain dehydrogenase family protein 0.0009 0.5 0.5
Trypanosoma brucei 3-ketoacyl-CoA reductase, putative 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0009 0.5 0.5
Brugia malayi oxidoreductase 0.0009 0.5 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0009 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0009 0.5 0.5
Mycobacterium ulcerans carveol-like dehydrogenase 0.0009 0.5 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Mycobacterium ulcerans dehydrogenase/decarboxylase protein 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 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
Loa Loa (eye worm) oxidoreductase 0.0009 0.5 0.5
Trypanosoma brucei beta-ketoacyl-ACP reductase 2 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0009 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0009 0.5 0.5
Mycobacterium ulcerans oxidoreductase 0.0009 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0009 0.5 0.5
Trypanosoma brucei 3-keto-dihydrosphingosine reductase 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Schistosoma mansoni carbonyl reductase 0.0009 0.5 0.5
Toxoplasma gondii sterol carrier protein-2 HAD-2SCP-2 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
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0009 0.5 0.5
Leishmania major oxidoreductase-like protein 0.0009 0.5 0.5
Giardia lamblia Oxidoreductase, short chain dehydrogenase/reductase family 0.0009 0.5 0.5
Brugia malayi Hypothetical oxidoreductase F56D1.5 0.0009 0.5 0.5
Mycobacterium leprae ROBABLE 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) oxidoreductase 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
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 dehydrogenase/reductase 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
Mycobacterium leprae PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE 0.0009 0.5 0.5
Schistosoma mansoni 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
Trypanosoma brucei short-chain dehydrogenase, putative 0.0009 0.5 0.5
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0009 0.5 0.5
Trichomonas vaginalis steroid dehydrogenase, putative 0.0009 0.5 0.5
Schistosoma mansoni carbonyl reductase 0.0009 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type oxidoreductase 0.0009 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenases/reductase, putative 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
Brugia malayi Retinol dehydrogenase 12 0.0009 0.5 0.5
Echinococcus granulosus retinol dehydrogenase 11 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
Echinococcus granulosus carbonyl reductase 1 0.0009 0.5 0.5
Plasmodium falciparum steroid dehydrogenase, putative 0.0009 0.5 0.5
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0009 0.5 0.5
Brugia malayi hypothetical protein 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0009 0.5 0.5
Brugia malayi dehydrogenases, short chain protein 2 0.0009 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain membrane-associated dehydrogenase 0.0009 0.5 0.5
Loa Loa (eye worm) dehydrogenase 0.0009 0.5 0.5
Echinococcus granulosus carbonyl reductase 1 0.0009 0.5 0.5
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0009 0.5 0.5
Mycobacterium leprae Probable oxidoreductase 0.0009 0.5 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0009 0.5 0.5
Toxoplasma gondii carbonyl reductase 1, putative 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Echinococcus granulosus steroid dehydrogenase 0.0009 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0009 0.5 0.5
Echinococcus granulosus oxidoreductase 0.0009 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0009 0.5 0.5
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0009 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0009 0.5 0.5
Giardia lamblia Hypothetical protein 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Echinococcus multilocularis retinol dehydrogenase 11 0.0009 0.5 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0009 0.5 0.5
Entamoeba histolytica 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
Echinococcus multilocularis transient receptor potential cation channel 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0009 0.5 0.5
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0009 0.5 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0009 0.5 0.5
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0009 0.5 0.5
Mycobacterium ulcerans ketoacyl reductase 0.0009 0.5 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Brugia malayi hypothetical protein 0.0009 0.5 0.5
Echinococcus multilocularis retinol dehydrogenase 13 0.0009 0.5 0.5
Echinococcus granulosus retinol dehydrogenase 11 0.0009 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0009 0.5 0.5
Echinococcus granulosus epidermal retinal dehydrogenase 2 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0009 0.5 0.5
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0009 0.5 0.5
Trypanosoma brucei 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
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 1 homolog 0.0009 0.5 0.5
Loa Loa (eye worm) dehydrogenase 0.0009 0.5 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Entamoeba histolytica short chain dehydrogenase family protein 0.0009 0.5 0.5
Mycobacterium ulcerans oxidoreductase 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 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
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0009 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0009 0.5 0.5
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0009 0.5 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0009 0.5 0.5
Trichomonas vaginalis hydroxyacyl dehydrogenase, putative 0.0009 0.5 0.5
Mycobacterium ulcerans dehydrogenase/reductase 0.0009 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0009 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0009 0.5 0.5
Schistosoma mansoni oxidoreductase short chain dehydrogenase/reductase family 0.0009 0.5 0.5
Leishmania major short chain dehydrogenase/reductase, putative 0.0009 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0009 0.5 0.5
Leishmania major short chain dehydrogenase, putative 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Onchocerca volvulus 0.0009 0.5 0.5
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0009 0.5 0.5
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0009 0.5 0.5
Toxoplasma gondii oxidoreductase, putative 0.0009 0.5 0.5
Echinococcus multilocularis estradiol 17 beta dehydrogenase 12 0.0009 0.5 0.5
Mycobacterium ulcerans ketoacyl reductase 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
Onchocerca volvulus 0.0009 0.5 0.5
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0009 0.5 0.5
Echinococcus granulosus Dehydrogenase:reductase SDR family 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 type dehydrogenase/reductase 0.0009 0.5 0.5
Echinococcus multilocularis 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
Trypanosoma cruzi hypothetical protein, conserved 0.0009 0.5 0.5
Echinococcus granulosus carbonyl reductase 1 0.0009 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 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

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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