Detailed information for compound 1570745

Basic information

Technical information
  • TDR Targets ID: 1570745
  • Name: 5-[(2-fluorophenyl)-piperidin-1-ylmethyl]-2-f uran-2-yl-[1,3]thiazolo[2,3-e][1,2,4]triazol- 6-ol
  • MW: 398.454 | Formula: C20H19FN4O2S
  • H donors: 1 H acceptors: 3 LogP: 4.1 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccccc1C(c1sc2n(c1O)nc(n2)c1ccco1)N1CCCCC1
  • InChi: 1S/C20H19FN4O2S/c21-14-8-3-2-7-13(14)16(24-10-4-1-5-11-24)17-19(26)25-20(28-17)22-18(23-25)15-9-6-12-27-15/h2-3,6-9,12,16,26H,1,4-5,10-11H2
  • InChiKey: ZDDZNWAQNUOGNK-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 5-[(2-fluorophenyl)-(1-piperidyl)methyl]-2-(2-furyl)thiazolo[2,3-e][1,2,4]triazol-6-ol
  • 5-[(2-fluorophenyl)-(1-piperidyl)methyl]-2-(2-furyl)-6-thiazolo[2,3-e][1,2,4]triazolol
  • 5-[(2-fluorophenyl)-piperidino-methyl]-2-(2-furyl)thiazolo[2,3-e][1,2,4]triazol-6-ol
  • 5-[(2-fluorophenyl)-piperidin-1-yl-methyl]-2-furan-2-yl-[1,3]thiazolo[2,3-e][1,2,4]triazol-6-ol
  • NCGC00137184-01
  • G857-1795

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
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.1001 0.3557 1
Brugia malayi hypothetical protein 0.0051 0.0089 0.0229
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0036 0.0028
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0089 0.0229
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.012 0.0112
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0253 0.0245
Treponema pallidum NADH oxidase 0.0031 0.0014 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0044 0.0124
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0044 0.0124
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.0044 0.0101
Schistosoma mansoni DNA polymerase eta 0.0039 0.0044 0.0036
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0033 0.0071
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0033 0.0025
Echinococcus multilocularis dna polymerase eta 0.0039 0.0044 0.0036
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0074 0.0066
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0039 0.0044 0.0036
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0058 0.0112 0.0104
Plasmodium falciparum glutathione reductase 0.0088 0.0225 0.0611
Loa Loa (eye worm) beta-lactamase 0.0037 0.0036 0.0077
Brugia malayi MH2 domain containing protein 0.0119 0.0336 0.0923
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0074 0.0066
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.0089 0.0251
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0031 0.0014 0.0016
Toxoplasma gondii IMP dehydrogenas 0.1001 0.3557 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0036 0.0028
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0074 0.0406
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0036 0.01
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0036 0.0135
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0847 0.2997 0.2991
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0098 0.009
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0033 0.0071
Trypanosoma cruzi GMP reductase 0.1001 0.3557 1
Plasmodium vivax thioredoxin reductase, putative 0.0088 0.0225 0.0611
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.006 0.012 0.0112
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0202 0.0639 0.1764
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0234 0.0757 0.2097
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0039 0.0044 0.0101
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.0149 0.0141
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.1001 0.3557 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0014 0.0016
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0442 0.1517 0.4242
Mycobacterium tuberculosis Conserved protein 0.0037 0.0036 0.0062
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0077
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0036 0.0062
Leishmania major hypothetical protein, conserved 0.0037 0.0036 0.0077
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.0044 0.0101
Trypanosoma cruzi trypanothione reductase, putative 0.0031 0.0014 0.0016
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0033 0.0025
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0224 0.0721 0.1996
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0014 0.0016
Loa Loa (eye worm) hypothetical protein 0.0036 0.0032 0.0067
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0031 0.0014 0.0039
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0036 0.0062
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0039 0.0044 0.0086
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0033 0.012
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0031 0.0014 0.0006
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.012 0.0112
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.0253 0.0691
Onchocerca volvulus 0.006 0.012 0.0688
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0077
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0089 0.0229
Brugia malayi follicle stimulating hormone receptor 0.0229 0.0738 0.2057
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0031 0.0014 0.0016
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0092 0.0237
Onchocerca volvulus 0.0037 0.0036 0.0169
Toxoplasma gondii aldehyde dehydrogenase 0.0068 0.0149 0.0396
Trichomonas vaginalis DNA polymerase eta, putative 0.0039 0.0044 0.0187
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0036 0.0077
Loa Loa (eye worm) GMP reductase 0.0442 0.1517 0.4251
Brugia malayi beta-lactamase family protein 0.0037 0.0036 0.0077
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0033 0.012
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0031 0.0014 0.0016
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0036 0.0062
Echinococcus granulosus tumor protein p63 0.07 0.2459 0.2453
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0098 0.009
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0186 0.0581 0.0573
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0044 0.0124
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0031 0.0014 0.0016
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0036 0.004
Brugia malayi Thioredoxin reductase 0.0088 0.0225 0.0611
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0036 0.0135
Schistosoma mansoni cellular tumor antigen P53 0.0102 0.0276 0.0268
Trichomonas vaginalis set domain proteins, putative 0.0474 0.1633 1
Trypanosoma brucei unspecified product 0.0039 0.0044 0.0124
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0036 0.0135
Loa Loa (eye worm) hypothetical protein 0.0039 0.0044 0.0101
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0039 0.0044 0.0036
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.1001 0.3557 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0039 0.0044 0.0086
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0202 0.0639 0.1746
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0098 0.009
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0077
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0014 0.0016
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0014 0.0016
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.006 0.012 0.0112
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0044 0.0101
Onchocerca volvulus Putative GMP reductase 0.0442 0.1517 0.9286
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0224 0.0721 0.1978
Toxoplasma gondii thioredoxin reductase 0.0088 0.0225 0.0611
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0033 0.012
Echinococcus multilocularis tumor protein p63 0.07 0.2459 0.2453
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0031 0.0014 0.0016
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0068 0.0149 0.0396
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.1001 0.3557 1
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.0089 0.0229
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0036 0.0135
Leishmania major guanosine monophosphate reductase 0.1001 0.3557 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.1001 0.3557 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0031 0.0014 0.0006
Loa Loa (eye worm) hypothetical protein 0.0047 0.0074 0.0186
Schistosoma mansoni alpha glucosidase 0.0036 0.0033 0.0025
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0044 0.0124
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0036 0.0027
Loa Loa (eye worm) inositol-1 0.0037 0.0036 0.0077
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.1001 0.3557 1
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.1001 0.3557 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0098 0.0253
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0036 0.0027
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0044 0.0101
Entamoeba histolytica deoxycytidyl transferase, putative 0.0039 0.0044 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0014 0.0016
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0039 0.0044 0.0187
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0033 0.0071
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0442 0.1517 0.4251
Loa Loa (eye worm) hypothetical protein 0.006 0.012 0.0315
Brugia malayi glutathione reductase 0.0088 0.0225 0.0611
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0036 0.0062
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0031 0.0014 0.0016
Echinococcus granulosus dna polymerase eta 0.0039 0.0044 0.0036
Plasmodium falciparum thioredoxin reductase 0.0088 0.0225 0.0611
Plasmodium falciparum glutathione reductase 0.0031 0.0014 0.0016
Loa Loa (eye worm) hypothetical protein 0.0054 0.0098 0.0253
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0031 0.0014 0.0016
Mycobacterium tuberculosis Probable oxidoreductase 0.0224 0.0721 0.1996
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0033 0.012
Plasmodium vivax glutathione reductase, putative 0.0088 0.0225 0.0611
Echinococcus multilocularis dna polymerase kappa 0.0039 0.0044 0.0036
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.0494 0.0486
Schistosoma mansoni terminal deoxycytidyl transferase 0.0039 0.0044 0.0036
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0089 0.0229
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0033 0.012
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.012 0.0112
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0253 0.0245
Mycobacterium ulcerans hypothetical protein 0.0037 0.0036 0.0062
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0031 0.0014 0.0016
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0044 0.0124
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.006 0.012 0.0315
Brugia malayi beta-lactamase family protein 0.0037 0.0036 0.0077
Loa Loa (eye worm) hypothetical protein 0.0102 0.0276 0.0755
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0036 0.0062
Toxoplasma gondii ABC1 family protein 0.0037 0.0036 0.0077
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0031 0.0014 0.0016
Loa Loa (eye worm) glutathione reductase 0.0088 0.0225 0.0611
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.1001 0.3557 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0044 0.0101
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0033 0.012
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.1001 0.3557 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0036 0.0062
Echinococcus granulosus thioredoxin glutathione reductase 0.0089 0.0227 0.0219
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0202 0.0639 0.1764
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0036 0.0077
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0044 0.0124
Mycobacterium leprae Probable lipase LipE 0.0037 0.0036 0.004
Trypanosoma cruzi trypanothione reductase, putative 0.0088 0.0225 0.0611
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0036 0.0135
Leishmania major DNA polymerase kappa, putative 0.0039 0.0044 0.0101
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0162 0.0494 0.1369
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0224 0.0721 0.1996
Loa Loa (eye worm) thioredoxin reductase 0.0088 0.0225 0.0611
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0068 0.0149 0.0381
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0077
Brugia malayi hypothetical protein 0.0033 0.0023 0.0041
Brugia malayi GMP reductase 0.0442 0.1517 0.4251
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0442 0.1517 0.4229
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0033 0.012
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.1001 0.3557 0.3552
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0092 0.0237
Brugia malayi Glycosyl hydrolases family 31 protein 0.0162 0.0494 0.1369
Leishmania major inosine-5-monophosphate dehydrogenase 0.1001 0.3557 1
Onchocerca volvulus 0.0047 0.0074 0.0406
Mycobacterium ulcerans beta-lactamase 0.0037 0.0036 0.0062
Brugia malayi Pre-SET motif family protein 0.006 0.012 0.0315
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0036 0.0062
Giardia lamblia DINP protein human, muc B family 0.0039 0.0044 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0031 0.0014 0.0016
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.0494 0.0486
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0036 0.0077
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0036 0.0077
Trypanosoma cruzi DNA polymerase eta, putative 0.0039 0.0044 0.0101
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.0044 0.0086
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.1001 0.3557 0.3552
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0044 0.0124
Schistosoma mansoni inositol monophosphatase 0.0037 0.0036 0.0027
Loa Loa (eye worm) hypothetical protein 0.0051 0.0089 0.0229
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.1001 0.3557 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.0149 0.0381
Toxoplasma gondii NADPH-glutathione reductase 0.0031 0.0014 0.0016
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0031 0.0014 0.0039
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0033 0.0071
Echinococcus granulosus dna polymerase kappa 0.0039 0.0044 0.0036
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0074 0.0066
Echinococcus granulosus lysosomal alpha glucosidase 0.0162 0.0494 0.0486
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.0089 0.0229
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0039 0.0044 0.0101
Trypanosoma cruzi GMP reductase 0.1001 0.3557 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0036 0.0077
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0031 0.0014 0.5
Plasmodium vivax SET domain protein, putative 0.006 0.012 0.0315
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0036 0.2175
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.1001 0.3557 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0074 0.0066
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0036 0.0135
Schistosoma mansoni alpha-glucosidase 0.014 0.0412 0.0404
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0202 0.0639 0.1764
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0253 0.0245
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0068 0.0149 0.0141
Plasmodium falciparum thioredoxin reductase 0.0031 0.0014 0.0016
Trypanosoma brucei GMP reductase 0.1001 0.3557 1
Brugia malayi mbt repeat family protein 0.0047 0.0074 0.0186
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0559 0.1942 0.5432
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.0149 0.0381
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0036 0.0077
Trichomonas vaginalis esterase, putative 0.0037 0.0036 0.0135
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0253 0.0245
Onchocerca volvulus 0.0094 0.0244 0.1453
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0044 0.0124
Mycobacterium tuberculosis Probable reductase 0.0202 0.0639 0.1764
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0031 0.0014 0.0016
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.0336 0.0923
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0074 0.0066
Mycobacterium tuberculosis Conserved protein 0.0037 0.0036 0.0062
Brugia malayi Inositol-1 0.0037 0.0036 0.0077
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0036 0.0077
Leishmania major DNA polymerase eta, putative 0.0039 0.0044 0.0101
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.1001 0.3557 0.3552
Mycobacterium tuberculosis Conserved protein 0.0037 0.0036 0.0062
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.0044 0.0086
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0416 0.1423 0.3986
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0036 0.01
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0202 0.0639 0.1764
Brugia malayi Pre-SET motif family protein 0.0416 0.1423 0.3986
Onchocerca volvulus 0.0037 0.0036 0.0169
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0088 0.0225 0.0596
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0068 0.0149 0.0141
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.0253 0.0691
Mycobacterium ulcerans lipase LipD 0.0037 0.0036 0.0062
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0033 0.0071
Schistosoma mansoni alpha-glucosidase 0.014 0.0412 0.0404
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0253 0.0245
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 0.0738 0.2057
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.0149 0.0381
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0253 0.0245
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0036 0.0028
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0036 0.0077
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.0149 0.0141
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0036 0.0062
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0098 0.009
Loa Loa (eye worm) MBCTL1 0.0054 0.0098 0.0253
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0031 0.0014 0.0039
Onchocerca volvulus 0.0474 0.1633 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0044 0.0124
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0031 0.0014 0.0006
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0033 0.012
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0036 0.0062
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0032 0.0067
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0031 0.0014 0.0016
Onchocerca volvulus 0.0102 0.0276 0.1649
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0036 0.0135
Schistosoma mansoni hypothetical protein 0.0287 0.0949 0.0942
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.012 0.0112
Onchocerca volvulus 0.0037 0.0036 0.0169
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0033 0.0071
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0098 0.009
Leishmania major hypothetical protein, conserved 0.0051 0.0089 0.0229
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0022 0.0022
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0044 0.0124
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0036 0.0062
Loa Loa (eye worm) IMP dehydrogenase 1 0.1001 0.3557 1
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0442 0.1517 0.4251
Mycobacterium tuberculosis Probable dehydrogenase 0.0202 0.0639 0.1764
Echinococcus granulosus histone lysine methyltransferase setb 0.006 0.012 0.0112
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.0336 0.0923
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0044 0.0101
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0044 0.0124
Trypanosoma brucei trypanothione reductase 0.0088 0.0225 0.0632
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0036 0.0028
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0036 0.0062
Trypanosoma brucei glucosidase, putative 0.0036 0.0033 0.0094
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0033 0.012
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0092 0.0237
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0074 0.0186
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0044 0.0124
Brugia malayi mbt repeat family protein 0.0047 0.0074 0.0186
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0036 0.0135
Schistosoma mansoni hypothetical protein 0.0036 0.0032 0.0024
Schistosoma mansoni inositol monophosphatase 0.0037 0.0036 0.0027
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0089 0.0229
Leishmania major trypanothione reductase 0.0088 0.0225 0.0611
Echinococcus multilocularis microtubule associated protein 2 0.2765 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0253 0.0245
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0077
Schistosoma mansoni microtubule-associated protein tau 0.2765 1 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0031 0.0014 0.0039
Brugia malayi beta-lactamase 0.0037 0.0036 0.0077
Trypanosoma brucei DNA polymerase eta, putative 0.0039 0.0044 0.0124
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0044 0.0124
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0559 0.1942 0.5442
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0031 0.0014 0.0016
Loa Loa (eye worm) hypothetical protein 0.0037 0.0036 0.0077
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0186 0.0581 0.0573
Echinococcus multilocularis thioredoxin glutathione reductase 0.0089 0.0227 0.0219
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0036 0.0077
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0039 0.0044 0.0036
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0074 0.0066
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0074 0.0066
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.1001 0.3557 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0092 0.0237

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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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