Detailed information for compound 2107174

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 560.492 | Formula: C27H27Cl2N3O4S
  • H donors: 2 H acceptors: 4 LogP: 4.27 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(NC1(CSC2=C1C(=O)c1c(C2=O)cccc1)C(=O)NCc1ccc(cc1)Cl)CN1CCCCC1.Cl
  • InChi: 1S/C27H26ClN3O4S.ClH/c28-18-10-8-17(9-11-18)14-29-26(35)27(30-21(32)15-31-12-4-1-5-13-31)16-36-25-22(27)23(33)19-6-2-3-7-20(19)24(25)34;/h2-3,6-11H,1,4-5,12-16H2,(H,29,35)(H,30,32);1H
  • InChiKey: JEUNFIVMHNCMAB-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Onchocerca volvulus 0.007 1 1
Schistosoma mansoni carbonyl reductase 0.007 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5
Echinococcus multilocularis retinol dehydrogenase 11 0.007 1 1
Trichomonas vaginalis short-chain dehydrogenases/reductase, putative 0.007 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5
Giardia lamblia Oxidoreductase, short chain dehydrogenase/reductase family 0.007 1 0.5
Plasmodium falciparum oxidoreductase, short-chain dehydrogenase family, putative 0.007 1 0.5
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.007 1 1
Brugia malayi Hypothetical oxidoreductase F56D1.5 0.007 1 1
Schistosoma mansoni short-chain dehydrogenase/reductase 0.007 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.007 1 0.5
Trypanosoma brucei 3-keto-dihydrosphingosine reductase 0.007 1 1
Mycobacterium ulcerans oxidoreductase 0.007 1 0.5
Mycobacterium tuberculosis Possible fatty acyl-CoA reductase 0.007 1 0.5
Brugia malayi calpain family protein 1 0.0063 0.845 0.845
Loa Loa (eye worm) oxidoreductase 0.007 1 1
Mycobacterium tuberculosis Probable short-chain type oxidoreductase 0.007 1 0.5
Onchocerca volvulus 0.007 1 1
Echinococcus multilocularis 3 ketodihydrosphingosine reductase 0.007 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.007 1 0.5
Leishmania major quinonoid dihydropteridine reductase 0.007 1 1
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.007 1 0.5
Loa Loa (eye worm) hypothetical protein 0.007 1 1
Trypanosoma cruzi short-chain dehydrogenase, putative 0.007 1 1
Schistosoma mansoni steroid dehydrogenase 0.007 1 1
Mycobacterium ulcerans short-chain membrane-associated dehydrogenase 0.007 1 0.5
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.007 1 0.5
Leishmania major hypothetical protein, conserved 0.007 1 1
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.007 1 1
Schistosoma mansoni short chain dehydrogenase 0.007 1 1
Schistosoma mansoni carbonyl reductase 0.007 1 1
Mycobacterium ulcerans oxidoreductase 0.007 1 0.5
Loa Loa (eye worm) hypothetical protein 0.007 1 1
Brugia malayi calpain family protein 1 0.0063 0.845 0.845
Echinococcus multilocularis oxidoreductase 0.007 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.007 1 0.5
Echinococcus granulosus calpain A 0.0066 0.9064 0.9064
Mycobacterium tuberculosis Possible oxidoreductase 0.007 1 0.5
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.007 1 0.5
Entamoeba histolytica hypothetical protein 0.007 1 0.5
Schistosoma mansoni short chain dehydrogenase 0.007 1 1
Trichomonas vaginalis hydroxyacyl dehydrogenase, putative 0.007 1 0.5
Trypanosoma brucei beta-D-hydroxybutyrate dehydrogenase 0.007 1 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0066 0.9064 0.9064
Schistosoma mansoni short chain dehydrogenase 0.007 1 1
Schistosoma mansoni short chain dehydrogenase 0.007 1 1
Toxoplasma gondii oxidoreductase, putative 0.007 1 0.5
Entamoeba histolytica hypothetical protein, conserved 0.007 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.007 1 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.007 1 0.5
Loa Loa (eye worm) hypothetical protein 0.007 1 1
Mycobacterium tuberculosis Probable dehydrogenase 0.007 1 0.5
Giardia lamblia Hypothetical protein 0.007 1 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 0.5
Schistosoma mansoni retinal dehydrogenase 0.007 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.007 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5
Echinococcus multilocularis carbonyl reductase 1 0.007 1 1
Trypanosoma cruzi short chain dehydrogenase, putative 0.007 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.007 1 0.5
Trichomonas vaginalis steroid dehydrogenase, putative 0.007 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5
Leishmania major short chain dehydrogenase/reductase, putative 0.007 1 1
Leishmania major short chain dehydrogenase, putative 0.007 1 1
Echinococcus granulosus 3 ketodihydrosphingosine reductase 0.007 1 1
Loa Loa (eye worm) oxidoreductase 0.007 1 1
Mycobacterium tuberculosis Possible ketoacyl reductase 0.007 1 0.5
Toxoplasma gondii oxidoreductase, putative 0.007 1 0.5
Leishmania major quinonoid dihydropteridine reductase 0.007 1 1
Mycobacterium ulcerans dehydrogenase/reductase 0.007 1 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.007 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.007 1 0.5
Leishmania major short chain dehydrogenase, putative 0.007 1 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.007 1 1
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.007 1 1
Entamoeba histolytica 3-ketodihydrosphingosine reductase protein, putative 0.007 1 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.487 0.487
Brugia malayi hypothetical protein 0.007 1 1
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.007 1 1
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.007 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.007 1 0.5
Leishmania major short chain dehydrogenase-like protein 0.007 1 1
Brugia malayi D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor 0.007 1 1
Loa Loa (eye worm) hypothetical protein 0.007 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.007 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 1
Echinococcus granulosus hypothetical protein 0.007 1 1
Loa Loa (eye worm) hypothetical protein 0.007 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 1
Leishmania major quinonoid dihydropteridine reductase 0.007 1 1
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.007 1 0.5
Mycobacterium tuberculosis Probable shortchain dehydrogenase 0.007 1 0.5
Echinococcus granulosus carbonyl reductase 1 0.007 1 1
Mycobacterium tuberculosis Possible iron-regulated short-chain dehydrogenase/reductase 0.007 1 0.5
Loa Loa (eye worm) oxidoreductase 0.007 1 1
Echinococcus multilocularis conserved hypothetical protein 0.007 1 1
Plasmodium vivax hypothetical protein, conserved 0.007 1 1
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0066 0.9064 0.9064
Plasmodium vivax steroid dehydrogenase, putative 0.007 1 1
Schistosoma mansoni steroid dehydrogenase 0.007 1 1
Echinococcus granulosus epidermal retinal dehydrogenase 2 0.007 1 1
Loa Loa (eye worm) dehydrogenase 0.007 1 1
Loa Loa (eye worm) hypothetical protein 0.007 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5
Mycobacterium leprae ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE 0.007 1 0.5
Onchocerca volvulus 0.007 1 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.007 1 0.5
Loa Loa (eye worm) hypothetical protein 0.007 1 1
Giardia lamblia Short-chain dehydrogenase, putative 0.007 1 0.5
Entamoeba histolytica short chain dehydrogenase family protein 0.007 1 0.5
Leishmania major 3-keto-dihydrosphingosine reductase 0.007 1 1
Schistosoma mansoni short chain dehydrogenase 0.007 1 1
Schistosoma mansoni short chain dehydrogenase 0.007 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.007 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 1
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.007 1 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.007 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.007 1 0.5
Schistosoma mansoni short chain dehydrogenase 0.007 1 1
Echinococcus granulosus WW domain containing oxidoreductase 0.007 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.007 1 0.5
Onchocerca volvulus 0.007 1 1
Loa Loa (eye worm) hypothetical protein 0.007 1 1
Trypanosoma cruzi quinonoid dihydropteridine reductase, putative 0.007 1 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.007 1 1
Brugia malayi Dehydrogenases, short chain protein 2 0.007 1 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.007 1 1
Echinococcus multilocularis carbonyl reductase 1 0.007 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.007 1 1
Echinococcus multilocularis carbonyl reductase 1 0.007 1 1
Schistosoma mansoni steroid dehydrogenase 0.007 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.007 1 1
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 1 homolog 0.007 1 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0066 0.9064 0.9064
Onchocerca volvulus 0.007 1 1
Mycobacterium ulcerans ketoacyl reductase 0.007 1 0.5
Leishmania major hypothetical protein, conserved 0.007 1 1
Loa Loa (eye worm) calpain family protein 1 0.0046 0.487 0.487
Onchocerca volvulus 0.007 1 1
Loa Loa (eye worm) oxidoreductase 0.007 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.6911 0.6911
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.007 1 1
Leishmania major hypothetical protein, conserved 0.007 1 1
Mycobacterium tuberculosis Possible short-chain dehydrogenase EphD 0.007 1 0.5
Mycobacterium tuberculosis Probable short-chain dehydrogenase/reductase 0.007 1 0.5
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.007 1 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0063 0.845 0.845
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.007 1 0.5
Mycobacterium ulcerans dehydrogenase/decarboxylase protein 0.007 1 0.5
Brugia malayi oxidoreductase 0.007 1 1
Brugia malayi Retinol dehydrogenase 12 0.007 1 1
Leishmania major pteridine reductase 1 0.007 1 1
Entamoeba histolytica short chain dehydrogenase family protein 0.007 1 0.5
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.007 1 0.5
Loa Loa (eye worm) oxidoreductase 0.007 1 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.007 1 1
Echinococcus granulosus retinol dehydrogenase 11 0.007 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.007 1 0.5
Toxoplasma gondii sterol carrier protein-2 HAD-2SCP-2 0.007 1 0.5
Brugia malayi dehydrogenases, short chain protein 9 0.007 1 1
Brugia malayi dehydrogenases, short chain protein 2 0.007 1 1
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0066 0.9064 0.9064
Toxoplasma gondii 3-ketoacyl-CoA reductase, putative 0.007 1 0.5
Echinococcus multilocularis Dehydrogenase:reductase SDR family 0.007 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.007 1 1
Leishmania major quinonoid dihydropteridine reductase 0.007 1 1
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.007 1 1
Echinococcus multilocularis calpain family protein 1, d 0.0046 0.487 0.487
Trypanosoma cruzi hypothetical protein, conserved 0.007 1 1
Leishmania major oxidoreductase-like protein 0.007 1 1
Schistosoma mansoni short chain dehydrogenase 0.007 1 1
Schistosoma mansoni short chain dehydrogenase 0.007 1 1
Schistosoma mansoni steroid dehydrogenase 0.007 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 1
Loa Loa (eye worm) hypothetical protein 0.007 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5
Brugia malayi hypothetical protein 0.007 1 1
Onchocerca volvulus 0.007 1 1
Schistosoma mansoni carbonyl reductase 0.007 1 1
Leishmania major hypothetical protein, conserved 0.007 1 1
Loa Loa (eye worm) calpain family protein 1 0.0063 0.845 0.845
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.007 1 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.007 1 1
Mycobacterium ulcerans short-chain dehydrogenase 0.007 1 0.5
Loa Loa (eye worm) oxidoreductase 0.007 1 1
Loa Loa (eye worm) hypothetical protein 0.007 1 1
Mycobacterium ulcerans carveol-like dehydrogenase 0.007 1 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.007 1 0.5
Leishmania major short chain dehydrogenase/reductase, putative 0.007 1 1
Mycobacterium tuberculosis Probable short chain alcohol dehydrogenase/reductase 0.007 1 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.007 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 1
Toxoplasma gondii carbonyl reductase 1, putative 0.007 1 0.5
Onchocerca volvulus 0.007 1 1
Schistosoma mansoni steroid dehydrogenase 0.007 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.007 1 0.5
Trypanosoma brucei beta-ketoacyl-ACP reductase 2 0.007 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 1
Loa Loa (eye worm) dehydrogenase 0.007 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.007 1 1
Mycobacterium ulcerans ketoacyl reductase 0.007 1 0.5
Schistosoma mansoni short chain dehydrogenase 0.007 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.007 1 0.5
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.007 1 0.5
Brugia malayi Dehydrogenases, short chain protein 30 0.007 1 1
Trichomonas vaginalis short-chain dehydrogenase, putative 0.007 1 0.5
Schistosoma mansoni short chain dehydrogenase 0.007 1 1
Leishmania major dehydrogenase-like protein 0.007 1 1
Plasmodium falciparum steroid dehydrogenase, putative 0.007 1 0.5
Schistosoma mansoni steroid dehydrogenase 0.007 1 1
Leishmania major quinonoid dihydropteridine reductase 0.007 1 1
Echinococcus multilocularis retinol dehydrogenase 13 0.007 1 1
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.007 1 0.5
Trichomonas vaginalis estradiol 17 beta-dehydrogenase, putative 0.007 1 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.007 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5
Mycobacterium ulcerans dehydrogenase 0.007 1 0.5
Schistosoma mansoni steroid dehydrogenase 0.007 1 1
Giardia lamblia Reductase, putative 0.007 1 0.5
Trypanosoma cruzi oxidoreductase-like protein, putative 0.007 1 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.007 1 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.007 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.007 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0063 0.845 0.845
Trypanosoma cruzi hypothetical protein, conserved 0.007 1 1
Schistosoma mansoni short chain dehydrogenase 0.007 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.007 1 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.007 1 1
Echinococcus multilocularis steroid dehydrogenase 0.007 1 1
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.007 1 0.5
Loa Loa (eye worm) oxidoreductase 0.007 1 1
Loa Loa (eye worm) hypothetical protein 0.007 1 1
Schistosoma mansoni short chain dehydrogenase 0.007 1 1
Echinococcus granulosus oxidoreductase 0.007 1 1
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.007 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5
Echinococcus multilocularis carbonyl reductase 1 0.007 1 1
Onchocerca volvulus 0.007 1 1
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 0.5
Leishmania major hypothetical protein, conserved 0.007 1 1
Mycobacterium ulcerans short-chain type oxidoreductase 0.007 1 0.5
Echinococcus granulosus carbonyl reductase 1 0.007 1 1
Mycobacterium ulcerans ketoacyl reductase 0.007 1 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.007 1 0.5
Schistosoma mansoni steroid dehydrogenase 0.007 1 1
Onchocerca volvulus Sepiapterin reductase homolog 0.007 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 1
Echinococcus multilocularis steroid dehydrogenase 0.007 1 1
Entamoeba histolytica hypothetical protein, conserved 0.007 1 0.5
Mycobacterium leprae PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE 0.007 1 0.5
Echinococcus granulosus carbonyl reductase 1 0.007 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.3332 0.3332
Trichomonas vaginalis short-chain dehydrogenase, putative 0.007 1 0.5
Loa Loa (eye worm) oxidoreductase 0.007 1 1
Trichomonas vaginalis short-chain dehydrogenase, putative 0.007 1 0.5
Echinococcus multilocularis calpain A 0.0066 0.9064 0.9064
Mycobacterium tuberculosis Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1 0.007 1 0.5
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.007 1 1
Trypanosoma brucei oxidoreductase-like protein 0.007 1 1
Echinococcus granulosus hypothetical protein 0.007 1 1
Onchocerca volvulus 0.007 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 1
Trypanosoma brucei beta-ketoacyl-ACP reductase 3, putative 0.007 1 1
Mycobacterium leprae Probable oxidoreductase 0.007 1 0.5
Schistosoma mansoni short chain dehydrogenase 0.007 1 1
Mycobacterium ulcerans short-chain dehydrogenase 0.007 1 0.5
Trypanosoma cruzi oxidoreductase-like protein, putative 0.007 1 1
Schistosoma mansoni 3-keto-dihydrosphingosine reductase 0.007 1 1
Echinococcus granulosus carbonyl reductase 1 0.007 1 1
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.007 1 1
Echinococcus multilocularis retinol dehydrogenase 11 0.007 1 1
Echinococcus multilocularis transient receptor potential cation channel 0.007 1 1
Echinococcus multilocularis epidermal retinal dehydrogenase 2 0.007 1 1
Onchocerca volvulus 0.007 1 1
Onchocerca volvulus 0.007 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.007 1 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.007 1 0.5
Schistosoma mansoni steroid dehydrogenase 0.007 1 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.007 1 1
Entamoeba histolytica oxidoreductase, short chain dehydrogenase/reductase family 0.007 1 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 0.5
Leishmania major quinonoid dihydropteridine reductase 0.007 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.007 1 0.5
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.007 1 1
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.007 1 0.5
Trypanosoma cruzi short-chain dehydrogenase, putative 0.007 1 1
Schistosoma mansoni oxidoreductase short chain dehydrogenase/reductase family 0.007 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.007 1 0.5
Loa Loa (eye worm) oxidoreductase 0.007 1 1
Leishmania major quinonoid dihydropteridine reductase 0.007 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.007 1 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.007 1 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.007 1 0.5
Echinococcus granulosus retinol dehydrogenase 11 0.007 1 1
Schistosoma mansoni short chain dehydrogenase 0.007 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.007 1 0.5
Echinococcus multilocularis estradiol 17 beta dehydrogenase 12 0.007 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5
Trypanosoma cruzi short chain dehydrogenase, putative 0.007 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.007 1 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.007 1 1
Echinococcus granulosus steroid dehydrogenase 0.007 1 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5
Trypanosoma brucei 3-ketoacyl-CoA reductase, putative 0.007 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5
Schistosoma mansoni steroid dehydrogenase 0.007 1 1
Mycobacterium tuberculosis Decaprenylphosphoryl-D-2-keto erythro pentose reductase 0.007 1 0.5
Echinococcus granulosus Dehydrogenase:reductase SDR family 0.007 1 1
Onchocerca volvulus 0.007 1 1
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.007 1 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.007 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.82 uM Antiproliferative activity against human MCF7 cells assessed as growth inhibition incubated for 48 hrs by MTT assay ChEMBL. 26253231

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 26253231

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.