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
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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 |
|---|---|---|---|---|
| Mycobacterium tuberculosis | Probable dehydrogenase | 0.007 | 1 | 0.5 |
| Loa Loa (eye worm) | short chain dehydrogenase/reductase family oxidoreductase | 0.007 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.007 | 1 | 0.5 |
| Echinococcus granulosus | 3 hydroxyacyl coenzyme A dehydrogenase type 2 | 0.007 | 1 | 1 |
| Onchocerca volvulus | 0.007 | 1 | 1 | |
| Loa Loa (eye worm) | hypothetical protein | 0.007 | 1 | 1 |
| Onchocerca volvulus | 0.007 | 1 | 1 | |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.007 | 1 | 0.5 |
| Giardia lamblia | Reductase, putative | 0.007 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.007 | 1 | 0.5 |
| Leishmania major | 3-oxoacyl-(acyl-carrier protein) reductase, putative | 0.007 | 1 | 1 |
| Toxoplasma gondii | sterol carrier protein-2 HAD-2SCP-2 | 0.007 | 1 | 0.5 |
| Echinococcus granulosus | carbonyl reductase 1 | 0.007 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.007 | 1 | 1 |
| Giardia lamblia | Hypothetical protein | 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 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.007 | 1 | 1 |
| Mycobacterium tuberculosis | Probable dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Mycobacterium ulcerans | dehydrogenase | 0.007 | 1 | 0.5 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Onchocerca volvulus | Dehydrogenase\/reductase SDR family member 1 homolog | 0.007 | 1 | 1 |
| Trypanosoma brucei | beta-D-hydroxybutyrate dehydrogenase | 0.007 | 1 | 1 |
| Leishmania major | short chain dehydrogenase, putative | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.007 | 1 | 0.5 |
| Echinococcus granulosus | calpain A | 0.0066 | 0.9064 | 0.9064 |
| Loa Loa (eye worm) | oxidoreductase | 0.007 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.007 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.007 | 1 | 0.5 |
| Echinococcus multilocularis | steroid dehydrogenase | 0.007 | 1 | 1 |
| Leishmania major | short chain dehydrogenase/reductase, putative | 0.007 | 1 | 1 |
| Onchocerca volvulus | 0.007 | 1 | 1 | |
| Loa Loa (eye worm) | oxidoreductase | 0.007 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.007 | 1 | 1 |
| Onchocerca volvulus | 0.007 | 1 | 1 | |
| Echinococcus multilocularis | transient receptor potential cation channel | 0.007 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.007 | 1 | 1 |
| Trypanosoma cruzi | NAD(P)-dependent oxidoreductase, putative | 0.007 | 1 | 1 |
| Plasmodium vivax | hypothetical protein, conserved | 0.007 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.007 | 1 | 1 |
| Leishmania major | oxidoreductase-like protein | 0.007 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.007 | 1 | 1 |
| Giardia lamblia | Oxidoreductase, short chain dehydrogenase/reductase family | 0.007 | 1 | 0.5 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Mycobacterium ulcerans | carveol-like dehydrogenase | 0.007 | 1 | 0.5 |
| Trypanosoma brucei | beta-ketoacyl-ACP reductase 3, putative | 0.007 | 1 | 1 |
| Onchocerca volvulus | 0.007 | 1 | 1 | |
| Leishmania major | 3-keto-dihydrosphingosine reductase | 0.007 | 1 | 1 |
| Leishmania major | short chain dehydrogenase/reductase, putative | 0.007 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.007 | 1 | 1 |
| Trypanosoma brucei | oxidoreductase-like protein | 0.007 | 1 | 1 |
| Brugia malayi | dehydrogenases, short chain protein 9 | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.007 | 1 | 0.5 |
| Plasmodium falciparum | oxidoreductase, short-chain dehydrogenase family, putative | 0.007 | 1 | 0.5 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.007 | 1 | 0.5 |
| Brugia malayi | hypothetical protein | 0.007 | 1 | 1 |
| Entamoeba histolytica | 3-ketodihydrosphingosine reductase protein, putative | 0.007 | 1 | 0.5 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.007 | 1 | 1 |
| Echinococcus granulosus | oxidoreductase | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 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, short chain dehydrogenase/reductase family protein | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.007 | 1 | 0.5 |
| Onchocerca volvulus | 0.007 | 1 | 1 | |
| Echinococcus multilocularis | calpain A | 0.0066 | 0.9064 | 0.9064 |
| Brugia malayi | 3-hydroxyacyl-CoA dehydrogenase type II | 0.007 | 1 | 1 |
| Echinococcus multilocularis | retinol dehydrogenase 11 | 0.007 | 1 | 1 |
| Schistosoma mansoni | retinal dehydrogenase | 0.007 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.007 | 1 | 1 |
| Echinococcus multilocularis | carbonyl reductase 1 | 0.007 | 1 | 1 |
| Echinococcus multilocularis | Dehydrogenase:reductase SDR family | 0.007 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.007 | 1 | 0.5 |
| Schistosoma mansoni | short chain dehydrogenase | 0.007 | 1 | 1 |
| Echinococcus multilocularis | carbonyl reductase 1 | 0.007 | 1 | 1 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.007 | 1 | 0.5 |
| Schistosoma mansoni | family C2 unassigned peptidase (C02 family) | 0.0066 | 0.9064 | 0.9064 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Leishmania major | hypothetical protein, conserved | 0.007 | 1 | 1 |
| Echinococcus multilocularis | retinol dehydrogenase 11 | 0.007 | 1 | 1 |
| Plasmodium falciparum | conserved Plasmodium protein, unknown function | 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 |
| 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 |
| Toxoplasma gondii | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.007 | 1 | 0.5 |
| Mycobacterium tuberculosis | Possible oxidoreductase | 0.007 | 1 | 0.5 |
| Schistosoma mansoni | steroid dehydrogenase | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.007 | 1 | 1 |
| Brugia malayi | dehydrogenases, short chain protein 2 | 0.007 | 1 | 1 |
| Mycobacterium tuberculosis | Possible fatty acyl-CoA reductase | 0.007 | 1 | 0.5 |
| Trypanosoma cruzi | hypothetical protein, conserved | 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 |
| Onchocerca volvulus | Dehydrogenase\/reductase SDR family member 13 homolog | 0.007 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.007 | 1 | 1 |
| Onchocerca volvulus | 0.007 | 1 | 1 | |
| Leishmania major | dehydrogenase-like protein | 0.007 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.007 | 1 | 1 |
| Trypanosoma brucei | 3-keto-dihydrosphingosine reductase | 0.007 | 1 | 1 |
| Entamoeba histolytica | estradiol 17-beta-dehydrogenase, putative | 0.007 | 1 | 0.5 |
| Mycobacterium ulcerans | 3-alpha-hydroxysteroid dehydrogenase | 0.007 | 1 | 0.5 |
| Brugia malayi | Dehydrogenases, short chain protein 2 | 0.007 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.007 | 1 | 1 |
| Brugia malayi | Dehydrogenases, short chain protein 30 | 0.007 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.007 | 1 | 1 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.007 | 1 | 1 |
| Echinococcus multilocularis | steroid dehydrogenase | 0.007 | 1 | 1 |
| Mycobacterium leprae | Possible short-chain dehydrogenase EphD | 0.007 | 1 | 0.5 |
| Schistosoma mansoni | steroid dehydrogenase | 0.007 | 1 | 1 |
| Echinococcus granulosus | carbonyl reductase 1 | 0.007 | 1 | 1 |
| Trypanosoma cruzi | quinonoid dihydropteridine reductase, putative | 0.007 | 1 | 1 |
| Trypanosoma cruzi | oxidoreductase-like protein, putative | 0.007 | 1 | 1 |
| Echinococcus multilocularis | estradiol 17 beta dehydrogenase 12 | 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 |
| Schistosoma mansoni | short chain dehydrogenase | 0.007 | 1 | 1 |
| Echinococcus granulosus | hypothetical protein | 0.007 | 1 | 1 |
| Onchocerca volvulus | 0.007 | 1 | 1 | |
| Mycobacterium ulcerans | short-chain type oxidoreductase | 0.007 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.007 | 1 | 0.5 |
| Entamoeba histolytica | oxidoreductase, short chain dehydrogenase/reductase family | 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 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.007 | 1 | 1 |
| Schistosoma mansoni | oxidoreductase short chain dehydrogenase/reductase family | 0.007 | 1 | 1 |
| Giardia lamblia | Short-chain dehydrogenase, putative | 0.007 | 1 | 0.5 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.007 | 1 | 0.5 |
| Trypanosoma cruzi | beta-ketoacyl-ACP reductase 2, putative | 0.007 | 1 | 1 |
| Mycobacterium leprae | Probable oxidoreductase | 0.007 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0046 | 0.487 | 0.487 |
| Mycobacterium leprae | ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE | 0.007 | 1 | 0.5 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.007 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.007 | 1 | 0.5 |
| Mycobacterium tuberculosis | Possible ketoacyl reductase | 0.007 | 1 | 0.5 |
| Schistosoma mansoni | short chain dehydrogenase | 0.007 | 1 | 1 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.007 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | oxidoreductase | 0.007 | 1 | 0.5 |
| Echinococcus granulosus | steroid dehydrogenase | 0.007 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.007 | 1 | 1 |
| Trypanosoma cruzi | short chain dehydrogenase/reductase, putative | 0.007 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.007 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.007 | 1 | 1 |
| Toxoplasma gondii | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.007 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Trichomonas vaginalis | hydroxyacyl dehydrogenase, putative | 0.007 | 1 | 0.5 |
| Mycobacterium leprae | Probable short-chain type dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0056 | 0.6911 | 0.6911 |
| Echinococcus multilocularis | conserved hypothetical protein | 0.007 | 1 | 1 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.007 | 1 | 0.5 |
| Toxoplasma gondii | oxidoreductase, short chain dehydrogenase/reductase family protein | 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 |
| Schistosoma mansoni | short chain dehydrogenase | 0.007 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.007 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.007 | 1 | 1 |
| Mycobacterium tuberculosis | Decaprenylphosphoryl-D-2-keto erythro pentose reductase | 0.007 | 1 | 0.5 |
| Trypanosoma brucei | short-chain dehydrogenase, putative | 0.007 | 1 | 1 |
| Brugia malayi | Hypothetical oxidoreductase F56D1.5 | 0.007 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenases/reductase, putative | 0.007 | 1 | 0.5 |
| Trypanosoma cruzi | short chain dehydrogenase, putative | 0.007 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.007 | 1 | 1 |
| Leishmania major | pteridine reductase 1 | 0.007 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.3332 | 0.3332 |
| Schistosoma mansoni | short-chain dehydrogenase/reductase | 0.007 | 1 | 1 |
| Toxoplasma gondii | 3-ketoacyl-CoA reductase, putative | 0.007 | 1 | 0.5 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.007 | 1 | 1 |
| Plasmodium vivax | steroid dehydrogenase, putative | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Onchocerca volvulus | 0.007 | 1 | 1 | |
| Echinococcus multilocularis | 3 hydroxyacyl coenzyme A dehydrogenase type 2 | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Brugia malayi | calpain family protein 1 | 0.0063 | 0.845 | 0.845 |
| Echinococcus granulosus | carbonyl reductase 1 | 0.007 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.007 | 1 | 1 |
| Echinococcus multilocularis | oxidoreductase | 0.007 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.007 | 1 | 1 |
| Echinococcus granulosus | epidermal retinal dehydrogenase 2 | 0.007 | 1 | 1 |
| Brugia malayi | oxidoreductase | 0.007 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.007 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | ketoacyl reductase | 0.007 | 1 | 0.5 |
| Echinococcus granulosus | WW domain containing oxidoreductase | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.007 | 1 | 0.5 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.007 | 1 | 0.5 |
| Mycobacterium tuberculosis | Possible oxidoreductase | 0.007 | 1 | 0.5 |
| Mycobacterium ulcerans | short-chain dehydrogenase | 0.007 | 1 | 0.5 |
| Mycobacterium tuberculosis | Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1 | 0.007 | 1 | 0.5 |
| Schistosoma mansoni | carbonyl reductase | 0.007 | 1 | 1 |
| Onchocerca volvulus | 0.007 | 1 | 1 | |
| Brugia malayi | Retinol dehydrogenase 12 | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.007 | 1 | 0.5 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Mycobacterium ulcerans | ketoacyl reductase | 0.007 | 1 | 0.5 |
| Toxoplasma gondii | 2,4-dienoyl CoA reductase 2, peroxisomal family protein | 0.007 | 1 | 0.5 |
| Echinococcus granulosus | retinol dehydrogenase 11 | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | short-chain dehydrogenase | 0.007 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Loa Loa (eye worm) | calpain family protein 1 | 0.0063 | 0.845 | 0.845 |
| Echinococcus multilocularis | retinol dehydrogenase 13 | 0.007 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.007 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.007 | 1 | 1 |
| Onchocerca volvulus | 0.007 | 1 | 1 | |
| Schistosoma mansoni | short chain dehydrogenase | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.007 | 1 | 0.5 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.007 | 1 | 0.5 |
| Toxoplasma gondii | oxidoreductase, putative | 0.007 | 1 | 0.5 |
| Trypanosoma cruzi | 3-ketoacyl-CoA reductase, putative | 0.007 | 1 | 1 |
| Echinococcus granulosus | Dehydrogenase:reductase SDR family | 0.007 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short-chain dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Toxoplasma gondii | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.007 | 1 | 0.5 |
| Schistosoma mansoni | short chain dehydrogenase | 0.007 | 1 | 1 |
| Mycobacterium tuberculosis | Possible iron-regulated short-chain dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Onchocerca volvulus | Dehydrogenase\/reductase SDR family member 13 homolog | 0.007 | 1 | 1 |
| Brugia malayi | calpain family protein 1 | 0.0063 | 0.845 | 0.845 |
| Echinococcus granulosus | carbonyl reductase 1 | 0.007 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.007 | 1 | 1 |
| Trypanosoma cruzi | short chain dehydrogenase/reductase, putative | 0.007 | 1 | 1 |
| Loa Loa (eye worm) | dehydrogenase | 0.007 | 1 | 1 |
| Trypanosoma cruzi | oxidoreductase-like protein, putative | 0.007 | 1 | 1 |
| Loa Loa (eye worm) | calpain family protein 1 | 0.0046 | 0.487 | 0.487 |
| Schistosoma mansoni | steroid dehydrogenase | 0.007 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.007 | 1 | 1 |
| Mycobacterium tuberculosis | Probable dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable short chain alcohol dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Mycobacterium tuberculosis | Possible short-chain dehydrogenase EphD | 0.007 | 1 | 0.5 |
| Schistosoma mansoni | short chain dehydrogenase | 0.007 | 1 | 1 |
| Echinococcus multilocularis | calpain family protein 1, d | 0.0046 | 0.487 | 0.487 |
| Schistosoma mansoni | short chain dehydrogenase | 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) | oxidoreductase | 0.007 | 1 | 1 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.007 | 1 | 1 |
| Plasmodium falciparum | steroid dehydrogenase, putative | 0.007 | 1 | 0.5 |
| Mycobacterium ulcerans | oxidoreductase | 0.007 | 1 | 0.5 |
| Wolbachia endosymbiont of Brugia malayi | Short-chain alcohol dehydrogenase family enzyme | 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 |
| Loa Loa (eye worm) | hypothetical protein | 0.007 | 1 | 1 |
| Trypanosoma brucei | short-chain dehydrogenase, putative | 0.007 | 1 | 1 |
| Echinococcus multilocularis | epidermal retinal dehydrogenase 2 | 0.007 | 1 | 1 |
| Onchocerca volvulus | Sepiapterin reductase homolog | 0.007 | 1 | 1 |
| Toxoplasma gondii | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.007 | 1 | 0.5 |
| Echinococcus granulosus | retinol dehydrogenase 11 | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.007 | 1 | 0.5 |
| Trypanosoma cruzi | 3-keto-dihydrosphingosine reductase | 0.007 | 1 | 1 |
| Loa Loa (eye worm) | dehydrogenase | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | 3-ketoacyl-ACP reductase | 0.007 | 1 | 0.5 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Echinococcus multilocularis | carbonyl reductase 1 | 0.007 | 1 | 1 |
| Echinococcus granulosus | family C2 unassigned peptidase C02 family | 0.0066 | 0.9064 | 0.9064 |
| Leishmania major | hypothetical protein, conserved | 0.007 | 1 | 1 |
| Trypanosoma brucei | short-chain dehydrogenase, putative | 0.007 | 1 | 1 |
| Echinococcus granulosus | 3 ketodihydrosphingosine reductase | 0.007 | 1 | 1 |
| Echinococcus multilocularis | carbonyl reductase 1 | 0.007 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.007 | 1 | 0.5 |
| Schistosoma mansoni | short chain dehydrogenase | 0.007 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.007 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.007 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.007 | 1 | 1 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.007 | 1 | 1 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.007 | 1 | 0.5 |
| Schistosoma mansoni | 3-hydroxyacyl-CoA dehydrogenase | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | short-chain membrane-associated dehydrogenase | 0.007 | 1 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.007 | 1 | 0.5 |
| Trypanosoma cruzi | 3-ketoacyl-CoA reductase, putative | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | short-chain dehydrogenase | 0.007 | 1 | 0.5 |
| Onchocerca volvulus | 0.007 | 1 | 1 | |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.007 | 1 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.007 | 1 | 1 |
| Leishmania major | short chain dehydrogenase-like protein | 0.007 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 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 |
| Loa Loa (eye worm) | hypothetical protein | 0.0063 | 0.845 | 0.845 |
| Onchocerca volvulus | 0.007 | 1 | 1 | |
| Trypanosoma cruzi | beta-ketoacyl-ACP reductase 2, putative | 0.007 | 1 | 1 |
| Echinococcus multilocularis | family C2 unassigned peptidase (C02 family) | 0.0066 | 0.9064 | 0.9064 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.007 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.007 | 1 | 0.5 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.007 | 1 | 0.5 |
| Trichomonas vaginalis | steroid dehydrogenase, putative | 0.007 | 1 | 0.5 |
| Brugia malayi | D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor | 0.007 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.007 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.007 | 1 | 0.5 |
| Trypanosoma brucei | short-chain dehydrogenase, putative | 0.007 | 1 | 1 |
| Trypanosoma brucei | short-chain dehydrogenase, putative | 0.007 | 1 | 1 |
| Mycobacterium leprae | Probable short-chain type dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Toxoplasma gondii | carbonyl reductase 1, putative | 0.007 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable shortchain dehydrogenase | 0.007 | 1 | 0.5 |
| 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 |
| Loa Loa (eye worm) | hypothetical protein | 0.007 | 1 | 1 |
| Entamoeba histolytica | short chain dehydrogenase family protein | 0.007 | 1 | 0.5 |
| Trypanosoma cruzi | short-chain dehydrogenase, putative | 0.007 | 1 | 1 |
| Entamoeba histolytica | estradiol 17-beta-dehydrogenase, putative | 0.007 | 1 | 0.5 |
| Trichomonas vaginalis | estradiol 17 beta-dehydrogenase, putative | 0.007 | 1 | 0.5 |
| Schistosoma mansoni | family C2 unassigned peptidase (C02 family) | 0.0063 | 0.845 | 0.845 |
| Echinococcus multilocularis | 3 ketodihydrosphingosine reductase | 0.007 | 1 | 1 |
| Entamoeba histolytica | short chain dehydrogenase family protein | 0.007 | 1 | 0.5 |
| Trypanosoma brucei | beta-ketoacyl-ACP reductase 2 | 0.007 | 1 | 1 |
| Schistosoma mansoni | 3-keto-dihydrosphingosine reductase | 0.007 | 1 | 1 |
| Leishmania major | short chain dehydrogenase, putative | 0.007 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short-chain type oxidoreductase | 0.007 | 1 | 0.5 |
| Mycobacterium leprae | PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE | 0.007 | 1 | 0.5 |
| Schistosoma mansoni | steroid dehydrogenase | 0.007 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Schistosoma mansoni | carbonyl reductase | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Schistosoma mansoni | family C2 unassigned peptidase (C02 family) | 0.0066 | 0.9064 | 0.9064 |
| Loa Loa (eye worm) | hypothetical protein | 0.007 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.007 | 1 | 0.5 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.007 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.007 | 1 | 0.5 |
| Schistosoma mansoni | carbonyl reductase | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | ketoacyl reductase | 0.007 | 1 | 0.5 |
| Trypanosoma cruzi | 3-keto-dihydrosphingosine reductase | 0.007 | 1 | 1 |
| Trypanosoma cruzi | NAD(P)-dependent oxidoreductase, putative | 0.007 | 1 | 1 |
| Echinococcus granulosus | hypothetical protein | 0.007 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.007 | 1 | 1 |
| Trypanosoma cruzi | short-chain dehydrogenase, putative | 0.007 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 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.
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
- ChEMBL: CHEMBL3622411
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.