Detailed information for compound 1365776
Basic information
Technical information
- TDR Targets ID: 1365776
- Name: 2-methyl-N-[2,2,2-trichloro-1-[[2-chloro-5-(t rifluoromethyl)phenyl]amino]ethyl]propanamide
- MW: 412.062 | Formula: C13H13Cl4F3N2O
-
H donors: 2
H acceptors: 1
LogP: 6.34
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(C(C)C)NC(C(Cl)(Cl)Cl)Nc1cc(ccc1Cl)C(F)(F)F
- InChi: 1S/C13H13Cl4F3N2O/c1-6(2)10(23)22-11(12(15,16)17)21-9-5-7(13(18,19)20)3-4-8(9)14/h3-6,11,21H,1-2H3,(H,22,23)
- InChiKey: OTRXTFIVXJNQHL-UHFFFAOYSA-N
Network
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Synonyms
- 2-methyl-N-[2,2,2-trichloro-1-[[2-chloro-5-(trifluoromethyl)phenyl]amino]ethyl]propionamide
- ST5336522
- BAS 00136903
- MLS000561731
- N-[2,2,2-Trichloro-1-(2-chloro-5-trifluoromethyl-phenylamino)-ethyl]-isobutyramide
- SMR000173948
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | lamin A/C | Starlite/ChEMBL | No references |
| Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
| Homo sapiens | ataxin 2 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Loa Loa (eye worm) | pigment dispersing factor receptor c | glucagon-like peptide 1 receptor | 463 aa | 388 aa | 25.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Leishmania major | quinonoid dihydropteridine reductase | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0068 | 1 | 1 |
| Echinococcus granulosus | hypothetical protein | 0.0068 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0068 | 1 | 1 |
| Plasmodium falciparum | conserved Plasmodium protein, unknown function | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Trypanosoma brucei | 3-ketoacyl-CoA reductase, putative | 0.0068 | 1 | 1 |
| Echinococcus granulosus | intermediate filament protein | 0.0033 | 0.3012 | 0.2782 |
| Echinococcus granulosus | carbonyl reductase 1 | 0.0068 | 1 | 1 |
| Onchocerca volvulus | Dehydrogenase\/reductase SDR family member 13 homolog | 0.0068 | 1 | 1 |
| Plasmodium vivax | steroid dehydrogenase, putative | 0.0068 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.002 | 0.0439 | 0.0439 |
| Trypanosoma cruzi | short chain dehydrogenase/reductase, putative | 0.0068 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short chain alcohol dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Echinococcus granulosus | Dehydrogenase:reductase SDR family | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Toxoplasma gondii | oxidoreductase, putative | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.2893 | 0.2893 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0068 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0068 | 1 | 1 |
| Mycobacterium tuberculosis | Possible oxidoreductase | 0.0068 | 1 | 0.5 |
| Leishmania major | short chain dehydrogenase-like protein | 0.0068 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0068 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | carbonyl reductase 1 | 0.0068 | 1 | 1 |
| Trichomonas vaginalis | hydroxyacyl dehydrogenase, putative | 0.0068 | 1 | 0.5 |
| Mycobacterium ulcerans | carveol-like dehydrogenase | 0.0068 | 1 | 0.5 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Leishmania major | 3-keto-dihydrosphingosine reductase | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Echinococcus granulosus | steroid dehydrogenase | 0.0068 | 1 | 1 |
| Schistosoma mansoni | carbonyl reductase | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | short-chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Echinococcus granulosus | lamin | 0.0033 | 0.3012 | 0.2782 |
| Trypanosoma cruzi | 3-keto-dihydrosphingosine reductase | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0068 | 1 | 1 |
| Mycobacterium leprae | Possible short-chain dehydrogenase EphD | 0.0068 | 1 | 0.5 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0068 | 1 | 1 |
| Trypanosoma brucei | short-chain dehydrogenase, putative | 0.0068 | 1 | 1 |
| Trypanosoma cruzi | 3-keto-dihydrosphingosine reductase | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Echinococcus multilocularis | carbonyl reductase 1 | 0.0068 | 1 | 1 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0068 | 1 | 0.5 |
| Echinococcus granulosus | lamin dm0 | 0.0033 | 0.3012 | 0.2782 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | Dehydrogenase:reductase SDR family | 0.0068 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short-chain type oxidoreductase | 0.0068 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | ketoacyl reductase | 0.0068 | 1 | 0.5 |
| Trypanosoma brucei | beta-ketoacyl-ACP reductase 2 | 0.0068 | 1 | 1 |
| Echinococcus granulosus | carbonyl reductase 1 | 0.0068 | 1 | 1 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0041 | 0.4723 | 0.4723 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0068 | 1 | 1 |
| Schistosoma mansoni | carbonyl reductase | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Toxoplasma gondii | 3-ketoacyl-CoA reductase, putative | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0068 | 1 | 0.5 |
| Leishmania major | short chain dehydrogenase/reductase, putative | 0.0068 | 1 | 1 |
| Toxoplasma gondii | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0068 | 1 | 1 |
| Echinococcus granulosus | hypothetical protein | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.8517 | 0.8517 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.3012 | 0.3012 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0068 | 1 | 1 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0068 | 1 | 0.5 |
| Echinococcus multilocularis | carbonyl reductase 1 | 0.0068 | 1 | 1 |
| Brugia malayi | Dehydrogenases, short chain protein 2 | 0.0068 | 1 | 1 |
| Trypanosoma brucei | short-chain dehydrogenase, putative | 0.0068 | 1 | 1 |
| Toxoplasma gondii | carbonyl reductase 1, putative | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | retinol dehydrogenase 11 | 0.0068 | 1 | 1 |
| Entamoeba histolytica | estradiol 17-beta-dehydrogenase, putative | 0.0068 | 1 | 0.5 |
| Echinococcus granulosus | 3 hydroxyacyl coenzyme A dehydrogenase type 2 | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | estradiol 17 beta dehydrogenase 12 | 0.0068 | 1 | 1 |
| Plasmodium vivax | hypothetical protein, conserved | 0.0068 | 1 | 1 |
| Trypanosoma cruzi | 3-ketoacyl-CoA reductase, putative | 0.0068 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0068 | 1 | 1 |
| Giardia lamblia | Oxidoreductase, short chain dehydrogenase/reductase family | 0.0068 | 1 | 0.5 |
| Loa Loa (eye worm) | short chain dehydrogenase/reductase family oxidoreductase | 0.0068 | 1 | 1 |
| Trypanosoma cruzi | short-chain dehydrogenase, putative | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Echinococcus multilocularis | lamin dm0 | 0.0033 | 0.3012 | 0.2782 |
| Echinococcus multilocularis | retinol dehydrogenase 13 | 0.0068 | 1 | 1 |
| Leishmania major | 3-oxoacyl-(acyl-carrier protein) reductase, putative | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | short-chain membrane-associated dehydrogenase | 0.0068 | 1 | 0.5 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0068 | 1 | 1 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.0068 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0068 | 1 | 1 |
| Brugia malayi | Retinol dehydrogenase 12 | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | dehydrogenase/decarboxylase protein | 0.0068 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.003 | 0.2588 | 0.2588 |
| Onchocerca volvulus | 0.0068 | 1 | 1 | |
| Mycobacterium ulcerans | short-chain type oxidoreductase | 0.0068 | 1 | 0.5 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0068 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.0068 | 1 | 0.5 |
| Entamoeba histolytica | estradiol 17-beta-dehydrogenase, putative | 0.0068 | 1 | 0.5 |
| Toxoplasma gondii | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
| Echinococcus granulosus | 3 ketodihydrosphingosine reductase | 0.0068 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0068 | 1 | 0.5 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.3012 | 0.3012 |
| Brugia malayi | Latrophilin receptor protein 2 | 0.0019 | 0.0319 | 0.0319 |
| Schistosoma mansoni | short-chain dehydrogenase/reductase | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | short-chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.0068 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0068 | 1 | 1 |
| Onchocerca volvulus | 0.0068 | 1 | 1 | |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Mycobacterium ulcerans | short-chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | steroid dehydrogenase | 0.0068 | 1 | 1 |
| Onchocerca volvulus | 0.0068 | 1 | 1 | |
| Echinococcus multilocularis | steroid dehydrogenase | 0.0068 | 1 | 1 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.8517 | 0.8517 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
| Entamoeba histolytica | 3-ketodihydrosphingosine reductase protein, putative | 0.0068 | 1 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.0068 | 1 | 1 |
| Plasmodium falciparum | oxidoreductase, short-chain dehydrogenase family, putative | 0.0068 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0068 | 1 | 1 |
| Echinococcus granulosus | WW domain containing oxidoreductase | 0.0068 | 1 | 1 |
| Brugia malayi | Hypothetical oxidoreductase F56D1.5 | 0.0068 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.0068 | 1 | 0.5 |
| Toxoplasma gondii | 2,4-dienoyl CoA reductase 2, peroxisomal family protein | 0.0068 | 1 | 1 |
| Trypanosoma cruzi | short chain dehydrogenase, putative | 0.0068 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
| Echinococcus granulosus | retinol dehydrogenase 11 | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | ketoacyl reductase | 0.0068 | 1 | 0.5 |
| Trichomonas vaginalis | short-chain dehydrogenases/reductase, putative | 0.0068 | 1 | 0.5 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0068 | 1 | 1 |
| Mycobacterium tuberculosis | Possible short-chain dehydrogenase EphD | 0.0068 | 1 | 0.5 |
| Mycobacterium ulcerans | oxidoreductase | 0.0068 | 1 | 0.5 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.0068 | 1 | 0.5 |
| Trypanosoma brucei | short-chain dehydrogenase, putative | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.8517 | 0.8517 |
| Mycobacterium tuberculosis | Probable dehydrogenase | 0.0068 | 1 | 0.5 |
| Trypanosoma brucei | short-chain dehydrogenase, putative | 0.0068 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0068 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.0068 | 1 | 0.5 |
| Brugia malayi | intermediate filament protein | 0.0033 | 0.3012 | 0.3012 |
| Leishmania major | short chain dehydrogenase, putative | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | short-chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Mycobacterium tuberculosis | Decaprenylphosphoryl-D-2-keto erythro pentose reductase | 0.0068 | 1 | 0.5 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0068 | 1 | 1 |
| Leishmania major | dehydrogenase-like protein | 0.0068 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0068 | 1 | 1 |
| Onchocerca volvulus | 0.0068 | 1 | 1 | |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Schistosoma mansoni | retinal dehydrogenase | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.3012 | 0.3012 |
| Schistosoma mansoni | oxidoreductase short chain dehydrogenase/reductase family | 0.0068 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Leishmania major | pteridine reductase 1 | 0.0068 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0068 | 1 | 1 |
| Onchocerca volvulus | 0.0068 | 1 | 1 | |
| Onchocerca volvulus | 0.0068 | 1 | 1 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Entamoeba histolytica | oxidoreductase, short chain dehydrogenase/reductase family | 0.0068 | 1 | 0.5 |
| Brugia malayi | Dehydrogenases, short chain protein 30 | 0.0068 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0068 | 1 | 0.5 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Brugia malayi | D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor | 0.0068 | 1 | 1 |
| Trypanosoma cruzi | beta-ketoacyl-ACP reductase 2, putative | 0.0068 | 1 | 1 |
| Onchocerca volvulus | 0.0068 | 1 | 1 | |
| Leishmania major | quinonoid dihydropteridine reductase | 0.0068 | 1 | 1 |
| Trypanosoma cruzi | short-chain dehydrogenase, putative | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0068 | 1 | 1 |
| Onchocerca volvulus | 0.0068 | 1 | 1 | |
| Leishmania major | quinonoid dihydropteridine reductase | 0.0068 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0068 | 1 | 1 |
| Toxoplasma gondii | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | dehydrogenase | 0.0068 | 1 | 0.5 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
| Mycobacterium leprae | ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE | 0.0068 | 1 | 0.5 |
| Plasmodium falciparum | steroid dehydrogenase, putative | 0.0068 | 1 | 1 |
| Trypanosoma cruzi | quinonoid dihydropteridine reductase, putative | 0.0068 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.4723 | 0.4723 |
| Toxoplasma gondii | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Trichomonas vaginalis | steroid dehydrogenase, putative | 0.0068 | 1 | 0.5 |
| Trypanosoma cruzi | NAD(P)-dependent oxidoreductase, putative | 0.0068 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0068 | 1 | 1 |
| Onchocerca volvulus | 0.0068 | 1 | 1 | |
| Loa Loa (eye worm) | oxidoreductase | 0.0068 | 1 | 1 |
| Onchocerca volvulus | Dehydrogenase\/reductase SDR family member 1 homolog | 0.0068 | 1 | 1 |
| Mycobacterium tuberculosis | Possible fatty acyl-CoA reductase | 0.0068 | 1 | 0.5 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Schistosoma mansoni | lamin | 0.0033 | 0.3012 | 0.2782 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Toxoplasma gondii | oxidoreductase, putative | 0.0068 | 1 | 1 |
| Toxoplasma gondii | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
| Mycobacterium tuberculosis | Possible iron-regulated short-chain dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Mycobacterium ulcerans | 3-alpha-hydroxysteroid dehydrogenase | 0.0068 | 1 | 0.5 |
| Echinococcus multilocularis | lamin | 0.0033 | 0.3012 | 0.2782 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0068 | 1 | 1 |
| Entamoeba histolytica | estradiol 17-beta-dehydrogenase, putative | 0.0068 | 1 | 0.5 |
| Leishmania major | short chain dehydrogenase/reductase, putative | 0.0068 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.0068 | 1 | 0.5 |
| Giardia lamblia | Hypothetical protein | 0.0068 | 1 | 0.5 |
| Echinococcus granulosus | carbonyl reductase 1 | 0.0068 | 1 | 1 |
| Trypanosoma cruzi | short chain dehydrogenase, putative | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Trypanosoma cruzi | NAD(P)-dependent oxidoreductase, putative | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | 3 hydroxyacyl coenzyme A dehydrogenase type 2 | 0.0068 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0068 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Loa Loa (eye worm) | dehydrogenase | 0.0068 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0068 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0068 | 1 | 1 |
| Trypanosoma cruzi | oxidoreductase-like protein, putative | 0.0068 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Entamoeba histolytica | short chain dehydrogenase family protein | 0.0068 | 1 | 0.5 |
| Mycobacterium leprae | Probable short-chain type dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | epidermal retinal dehydrogenase 2 | 0.0068 | 1 | 1 |
| Onchocerca volvulus | 0.0068 | 1 | 1 | |
| Trypanosoma brucei | short-chain dehydrogenase, putative | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Echinococcus multilocularis | 3 ketodihydrosphingosine reductase | 0.0068 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.8517 | 0.8517 |
| Onchocerca volvulus | Dehydrogenase\/reductase SDR family member 13 homolog | 0.0068 | 1 | 1 |
| Mycobacterium tuberculosis | Probable shortchain dehydrogenase | 0.0068 | 1 | 0.5 |
| Mycobacterium tuberculosis | Possible ketoacyl reductase | 0.0068 | 1 | 0.5 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0068 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.0068 | 1 | 1 |
| Brugia malayi | 3-hydroxyacyl-CoA dehydrogenase type II | 0.0068 | 1 | 1 |
| Schistosoma mansoni | 3-hydroxyacyl-CoA dehydrogenase | 0.0068 | 1 | 1 |
| Trypanosoma cruzi | short chain dehydrogenase/reductase, putative | 0.0068 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0019 | 0.0319 | 0.0319 |
| Echinococcus multilocularis | retinol dehydrogenase 11 | 0.0068 | 1 | 1 |
| Schistosoma mansoni | lamin | 0.0033 | 0.3012 | 0.2782 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Echinococcus granulosus | carbonyl reductase 1 | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0068 | 1 | 1 |
| Mycobacterium leprae | Probable short-chain type dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0068 | 1 | 1 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0068 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Entamoeba histolytica | short chain dehydrogenase family protein | 0.0068 | 1 | 0.5 |
| Echinococcus multilocularis | conserved hypothetical protein | 0.0068 | 1 | 1 |
| Giardia lamblia | Reductase, putative | 0.0068 | 1 | 0.5 |
| Mycobacterium tuberculosis | Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1 | 0.0068 | 1 | 0.5 |
| Echinococcus granulosus | retinol dehydrogenase 11 | 0.0068 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
| Trypanosoma brucei | oxidoreductase-like protein | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | ketoacyl reductase | 0.0068 | 1 | 0.5 |
| Giardia lamblia | Short-chain dehydrogenase, putative | 0.0068 | 1 | 0.5 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0068 | 1 | 1 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0068 | 1 | 0.5 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0068 | 1 | 1 |
| Leishmania major | quinonoid dihydropteridine reductase | 0.0068 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0068 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.0068 | 1 | 0.5 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0068 | 1 | 1 |
| Toxoplasma gondii | sterol carrier protein-2 HAD-2SCP-2 | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | latrophilin receptor protein 2 | 0.0019 | 0.0319 | 0.0319 |
| Brugia malayi | dehydrogenases, short chain protein 2 | 0.0068 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Schistosoma mansoni | carbonyl reductase | 0.0068 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.0068 | 1 | 0.5 |
| Mycobacterium ulcerans | oxidoreductase | 0.0068 | 1 | 0.5 |
| Trypanosoma cruzi | oxidoreductase-like protein, putative | 0.0068 | 1 | 1 |
| Trichomonas vaginalis | estradiol 17 beta-dehydrogenase, putative | 0.0068 | 1 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.0068 | 1 | 1 |
| Trypanosoma cruzi | 3-ketoacyl-CoA reductase, putative | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | dehydrogenase | 0.0068 | 1 | 1 |
| Wolbachia endosymbiont of Brugia malayi | Short-chain alcohol dehydrogenase family enzyme | 0.0068 | 1 | 0.5 |
| Trypanosoma cruzi | beta-ketoacyl-ACP reductase 2, putative | 0.0068 | 1 | 1 |
| Leishmania major | oxidoreductase-like protein | 0.0068 | 1 | 1 |
| Mycobacterium leprae | Probable oxidoreductase | 0.0068 | 1 | 0.5 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0068 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.003 | 0.2588 | 0.2588 |
| Schistosoma mansoni | 3-keto-dihydrosphingosine reductase | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | carbonyl reductase 1 | 0.0068 | 1 | 1 |
| Trypanosoma brucei | beta-D-hydroxybutyrate dehydrogenase | 0.0068 | 1 | 1 |
| Schistosoma mansoni | short chain dehydrogenase | 0.0068 | 1 | 1 |
| Mycobacterium tuberculosis | Possible oxidoreductase | 0.0068 | 1 | 0.5 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0041 | 0.4723 | 0.4549 |
| Onchocerca volvulus | 0.0068 | 1 | 1 | |
| Leishmania major | quinonoid dihydropteridine reductase | 0.0068 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Brugia malayi | calcium-independent alpha-latrotoxin receptor 2, putative | 0.0019 | 0.0319 | 0.0319 |
| Mycobacterium tuberculosis | Probable short-chain dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Loa Loa (eye worm) | oxidoreductase | 0.0068 | 1 | 1 |
| Onchocerca volvulus | Sepiapterin reductase homolog | 0.0068 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 0.3012 | 0.3012 |
| Onchocerca volvulus | 0.0068 | 1 | 1 | |
| Mycobacterium tuberculosis | Probable dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Echinococcus granulosus | epidermal retinal dehydrogenase 2 | 0.0068 | 1 | 1 |
| Onchocerca volvulus | 0.0068 | 1 | 1 | |
| Mycobacterium leprae | PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE | 0.0068 | 1 | 0.5 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0068 | 1 | 0.5 |
| Leishmania major | short chain dehydrogenase, putative | 0.0068 | 1 | 1 |
| Loa Loa (eye worm) | oxidoreductase | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | 3-ketoacyl-ACP reductase | 0.0068 | 1 | 0.5 |
| Brugia malayi | oxidoreductase | 0.0068 | 1 | 1 |
| Echinococcus granulosus | oxidoreductase | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | short chain dehydrogenase | 0.0068 | 1 | 0.5 |
| Trypanosoma brucei | beta-ketoacyl-ACP reductase 3, putative | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
| Mycobacterium ulcerans | short-chain type dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable oxidoreductase | 0.0068 | 1 | 0.5 |
| Brugia malayi | dehydrogenases, short chain protein 9 | 0.0068 | 1 | 1 |
| Mycobacterium tuberculosis | Probable short-chain type dehydrogenase/reductase | 0.0068 | 1 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0068 | 1 | 1 |
| Schistosoma mansoni | intermediate filament proteins | 0.0033 | 0.3012 | 0.2782 |
| Trypanosoma brucei | 3-keto-dihydrosphingosine reductase | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | oxidoreductase | 0.0068 | 1 | 1 |
| Schistosoma mansoni | steroid dehydrogenase | 0.0068 | 1 | 1 |
| Echinococcus multilocularis | musashi | 0.0033 | 0.3012 | 0.2782 |
| Echinococcus multilocularis | transient receptor potential cation channel | 0.0068 | 1 | 1 |
| Trichomonas vaginalis | short-chain dehydrogenase, putative | 0.0068 | 1 | 0.5 |
| Brugia malayi | oxidoreductase, short chain dehydrogenase/reductase family protein | 0.0068 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 3.6626 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] | ChEMBL. | No reference |
| Potency (functional) | 6.3096 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 10 uM | PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 13.1154 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 14.7157 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | ChEMBL23 | ||
| Plasmodium falciparum | ChEMBL23 |
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: CHEMBL1495726
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.