Detailed information for compound 1443522

Basic information

Technical information
  • TDR Targets ID: 1443522
  • Name: 5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl] -4-methyl-1,1-dioxo-1,2-thiazol-3-amine
  • MW: 348.367 | Formula: C17H14F2N2O2S
  • H donors: 1 H acceptors: 2 LogP: 2.77 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C1=C(C)C(=NS1(=O)=O)NCc1ccccc1F
  • InChi: 1S/C17H14F2N2O2S/c1-11-16(12-6-8-14(18)9-7-12)24(22,23)21-17(11)20-10-13-4-2-3-5-15(13)19/h2-9H,10H2,1H3,(H,20,21)
  • InChiKey: MSMUISRDLWUBNJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-1,1-dioxo-isothiazol-3-amine
  • 5-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-4-methyl-1,1-dioxo-3-isothiazolamine
  • (2-fluorobenzyl)-[5-(4-fluorophenyl)-1,1-diketo-4-methyl-isothiazol-3-yl]amine
  • G001-0801
  • NCGC00141644-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens galactosylceramidase No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0196 0.0237
Loa Loa (eye worm) hypothetical protein 0.0089 0.288 0.3494
Brugia malayi beta-lactamase family protein 0.0035 0.08 0.0971
Echinococcus multilocularis musashi 0.0026 0.0465 0.0375
Entamoeba histolytica hypothetical protein 0.007 0.2135 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0047 0.127 0.1981
Brugia malayi nuclear receptor NHR-88 0.0024 0.0402 0.0487
Echinococcus granulosus cyclin dependent kinase 0.005 0.1388 0.1517
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0402 0.0297
Loa Loa (eye worm) hypothetical protein 0.0035 0.08 0.0971
Brugia malayi Cytochrome P450 family protein 0.0015 0.0052 0.0063
Onchocerca volvulus 0.0035 0.08 0.0507
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.08 0.079
Brugia malayi beta-lactamase 0.0035 0.08 0.0971
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0024 0.0402 0.0429
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.08 0.0789
Loa Loa (eye worm) hypothetical protein 0.0024 0.0402 0.0487
Loa Loa (eye worm) beta-lactamase 0.0035 0.08 0.0971
Mycobacterium ulcerans short chain dehydrogenase 0.0274 1 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0402 0.0487
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.08 0.0789
Trypanosoma cruzi cdc2-related kinase 3 0.005 0.1388 1
Mycobacterium ulcerans beta-lactamase 0.0035 0.08 0.0753
Brugia malayi beta-lactamase family protein 0.0035 0.08 0.0971
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0081 0.2582 0.2994
Loa Loa (eye worm) hypothetical protein 0.0024 0.0402 0.0487
Brugia malayi Pre-SET motif family protein 0.0029 0.0572 0.0694
Schistosoma mansoni steroid hormone receptor ad4bp 0.0024 0.0402 0.0429
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1388 0.1515
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0402 0.0429
Echinococcus granulosus geminin 0.0164 0.5756 0.6921
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0024 0.0402 0.0487
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1388 0.1515
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0572 0.0507
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.007 0.2135 0.2442
Loa Loa (eye worm) hypothetical protein 0.0089 0.288 0.3494
Schistosoma mansoni jun-related protein 0.0066 0.1998 0.3282
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.04 0.2602
Schistosoma mansoni intermediate filament proteins 0.0026 0.0465 0.0542
Echinococcus granulosus ecdysone induced protein 78C 0.0024 0.0402 0.0297
Trypanosoma brucei cdc2-related kinase 3 0.005 0.1388 1
Echinococcus multilocularis jun protein 0.0081 0.2582 0.2994
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0572 0.0733
Brugia malayi bZIP transcription factor family protein 0.0081 0.2582 0.3132
Onchocerca volvulus 0.0029 0.0572 0.0217
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0024 0.0402 0.0487
Loa Loa (eye worm) steroid hormone receptor 0.0024 0.0402 0.0487
Onchocerca volvulus 0.0026 0.0465 0.008
Schistosoma mansoni hypothetical protein 0.0164 0.5756 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.08 0.0649
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.08 0.0789
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.7192 0.8723
Trichomonas vaginalis set domain proteins, putative 0.0229 0.8259 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0024 0.0402 0.0297
Echinococcus multilocularis cyclin dependent kinase 0.005 0.1388 0.1517
Schistosoma mansoni thyroid hormone receptor 0.0024 0.0402 0.0429
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0162 0.5
Echinococcus multilocularis cyclin dependent kinase 1 0.005 0.1388 0.1517
Echinococcus granulosus lamin dm0 0.0026 0.0465 0.0375
Brugia malayi Cytochrome P450 family protein 0.0015 0.0052 0.0063
Brugia malayi hypothetical protein 0.007 0.2135 0.259
Loa Loa (eye worm) hypothetical protein 0.0035 0.08 0.0971
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0089 0.288 0.3494
Schistosoma mansoni hypothetical protein 0.0019 0.0196 0.006
Schistosoma mansoni thyroid hormone receptor 0.0024 0.0402 0.0429
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0162 0.0111
Brugia malayi nuclear hormone receptor 0.0024 0.0402 0.0487
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0162 0.0824
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.005 0.1388 0.1517
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1045 0.1268
Plasmodium vivax SET domain protein, putative 0.0029 0.0572 0.3344
Schistosoma mansoni hypothetical protein 0.0019 0.0196 0.006
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0572 0.0507
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1777 0.2156
Onchocerca volvulus 0.0026 0.0465 0.008
Loa Loa (eye worm) hypothetical protein 0.0079 0.2496 0.3028
Schistosoma mansoni lamin 0.0026 0.0465 0.0542
Brugia malayi hypothetical protein 0.0158 0.5524 0.67
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.08 0.0649
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0024 0.0402 0.0297
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.04 0.1938
Brugia malayi intermediate filament protein 0.0026 0.0465 0.0564
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0081 0.2582 0.2994
Brugia malayi PAS domain containing protein 0.0047 0.127 0.154
Schistosoma mansoni single-minded 0.0047 0.127 0.1981
Echinococcus multilocularis cyclin dependent kinase 5 0.005 0.1388 0.1517
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.08 0.0753
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0024 0.0402 0.0487
Schistosoma mansoni coup transcription factor 0.0024 0.0402 0.0429
Echinococcus multilocularis lamin dm0 0.0026 0.0465 0.0375
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.08 0.0649
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0162 0.0196
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0402 0.0487
Schistosoma mansoni hypothetical protein 0.007 0.2135 0.3528
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.04 0.1938
Brugia malayi hypothetical protein 0.0024 0.04 0.0485
Echinococcus granulosus single minded 2 0.0035 0.08 0.079
Mycobacterium ulcerans putative regulatory protein 0.0035 0.08 0.0753
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0435 0.0528
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0024 0.0402 0.0297
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0052 0.0063
Echinococcus multilocularis thyroid hormone receptor alpha 0.0024 0.0402 0.0297
Onchocerca volvulus 0.0089 0.288 0.3154
Brugia malayi Common central domain of tyrosinase family protein 0.0089 0.288 0.3494
Echinococcus multilocularis lamin 0.0026 0.0465 0.0375
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.08 0.0789
Echinococcus multilocularis geminin 0.0164 0.5756 0.6921
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.1255 0.1522
Echinococcus granulosus intermediate filament protein 0.0026 0.0465 0.0375
Echinococcus multilocularis ecdysone induced protein 78C 0.0024 0.0402 0.0297
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0196 0.0042
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0024 0.0402 0.0487
Onchocerca volvulus 0.0229 0.8259 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1777 0.2156
Echinococcus multilocularis cyclin dependent kinase 1 0.005 0.1388 0.1517
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0465 0.0564
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0572 0.3344
Echinococcus granulosus FTZ F1 alpha 0.0024 0.0402 0.0297
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.04 0.2602
Brugia malayi hypoxia-induced factor 1 0.0145 0.5054 0.6131
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0089 0.288 0.3494
Loa Loa (eye worm) hypothetical protein 0.0026 0.0465 0.0564
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0572 0.0507
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0024 0.0402 0.0487
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0162 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.04 0.2602
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0024 0.0402 0.0487
Mycobacterium tuberculosis Conserved protein 0.0035 0.08 0.0649
Onchocerca volvulus 0.0035 0.08 0.0507
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0162 0.0824
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0572 0.0733
Loa Loa (eye worm) hypothetical protein 0.0035 0.08 0.0971
Loa Loa (eye worm) hypothetical protein 0.0035 0.08 0.0971
Schistosoma mansoni transcription factor LCR-F1 0.007 0.2135 0.3528
Echinococcus granulosus cyclin dependent kinase 1 0.005 0.1388 0.1517
Loa Loa (eye worm) ShTK domain-containing protein 0.0089 0.288 0.3494
Schistosoma mansoni hypothetical protein 0.0164 0.5756 1
Brugia malayi Cytochrome P450 family protein 0.0025 0.0435 0.0528
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0024 0.0402 0.0297
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0024 0.0402 0.0297
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0572 0.0733
Brugia malayi hypothetical protein 0.0016 0.0068 0.0082
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.005 0.1388 0.1684
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0465 0.0564
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.08 0.1142
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0222 0.8005 0.7972
Leishmania major hypothetical protein, conserved 0.0024 0.04 0.2602
Brugia malayi cell division control protein 2 homolog 0.005 0.1388 0.1684
Leishmania major hypothetical protein, conserved 0.0035 0.08 0.5602
Schistosoma mansoni lamin 0.0026 0.0465 0.0542
Loa Loa (eye worm) hypothetical protein 0.0024 0.0402 0.0487
Loa Loa (eye worm) hypothetical protein 0.0024 0.0402 0.0487
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0024 0.0402 0.0487
Loa Loa (eye worm) hypothetical protein 0.0228 0.8244 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0402 0.0487
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0196 0.0237
Loa Loa (eye worm) hypothetical protein 0.0024 0.04 0.0485
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.08 0.5602
Toxoplasma gondii ABC1 family protein 0.0035 0.08 0.5207
Loa Loa (eye worm) ShTK domain-containing protein 0.0089 0.288 0.3494
Schistosoma mansoni hypothetical protein 0.0019 0.0196 0.006
Loa Loa (eye worm) hypothetical protein 0.0024 0.0402 0.0487
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0402 0.0487
Echinococcus multilocularis GPCR, family 2 0.0019 0.0196 0.0042
Onchocerca volvulus 0.0035 0.08 0.0507
Loa Loa (eye worm) tyrosinase 1 0.0089 0.288 0.3494
Mycobacterium tuberculosis Conserved protein 0.0035 0.08 0.0649
Trypanosoma cruzi cdc2-related kinase 1 0.005 0.1388 1
Trypanosoma cruzi cdc2-related kinase 3 0.005 0.1388 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0024 0.0402 0.0297
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0465 0.0564
Echinococcus granulosus cyclin dependent kinase 5 0.005 0.1388 0.1517
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.005 0.1388 1
Brugia malayi Steroid receptor seven-up type 2 0.0024 0.0402 0.0487
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0402 0.0487
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0531 0.0457
Plasmodium vivax hypothetical protein, conserved 0.0035 0.08 0.5207
Mycobacterium leprae Probable lipase LipE 0.0035 0.08 0.5
Echinococcus multilocularis transfer RNA-Lys 0.0035 0.08 0.079
Schistosoma mansoni survival motor neuron protein 0.0047 0.1255 0.1953
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0024 0.0402 0.0297
Schistosoma mansoni tyrosinase precursor 0.0089 0.288 0.4859
Schistosoma mansoni retinoic acid receptor RXR 0.0024 0.0402 0.0429
Schistosoma mansoni hypothetical protein 0.0047 0.1255 0.1953
Echinococcus granulosus jun protein 0.0081 0.2582 0.2994
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.005 0.1388 0.1684
Onchocerca volvulus 0.0047 0.1255 0.1085
Onchocerca volvulus 0.0089 0.288 0.3154
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.04 0.1938
Loa Loa (eye worm) hypothetical protein 0.0026 0.0447 0.0542
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.0402 0.0429
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.007 0.2135 0.2442
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0024 0.0402 0.0429
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1777 0.2156
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0024 0.0402 0.0487
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0196 0.0042
Loa Loa (eye worm) hypoxia-induced factor 1 0.0145 0.5054 0.6131
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.8244 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.08 0.0789
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0196 0.0042
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0052 0.0063
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0024 0.0402 0.0487
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0024 0.0402 0.0487
Onchocerca volvulus 0.0089 0.288 0.3154
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.08 0.079
Plasmodium vivax protein kinase Crk2 0.005 0.1388 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0402 0.0297
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.04 0.1938
Loa Loa (eye worm) hypothetical protein 0.0158 0.5524 0.67
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.8244 1
Entamoeba histolytica cell division protein kinase 2, putative 0.005 0.1388 0.6214
Brugia malayi hypothetical protein 0.0064 0.1912 0.2319
Entamoeba histolytica hypothetical protein 0.007 0.2135 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0024 0.0402 0.0487
Schistosoma mansoni RAR-like nuclear receptor 0.0024 0.0402 0.0429
Schistosoma mansoni serine/threonine protein kinase 0.005 0.1388 0.2192
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0024 0.0402 0.0429
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0402 0.0487
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.08 0.0971
Onchocerca volvulus 0.0089 0.288 0.3154
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.08 0.5602
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.08 0.0753
Brugia malayi ecdysteroid receptor 0.0024 0.0402 0.0487
Loa Loa (eye worm) hypothetical protein 0.0041 0.1045 0.1268
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0196 0.0042
Giardia lamblia Kinase, CMGC CDK 0.005 0.1388 1
Brugia malayi ShTK domain containing protein 0.0089 0.288 0.3494
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0024 0.0402 0.0429
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0089 0.288 0.3494
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.08 0.0971
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0024 0.0402 0.0487
Mycobacterium leprae conserved hypothetical protein 0.0035 0.08 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.08 0.5602
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.08 0.0649
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0024 0.0402 0.0297
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0089 0.288 0.3494
Entamoeba histolytica hypothetical protein 0.007 0.2135 1
Schistosoma mansoni hypothetical protein 0.0066 0.1998 0.3282
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.005 0.1388 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.08 0.0971
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0024 0.0402 0.0487
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.005 0.1388 0.1684
Mycobacterium tuberculosis Conserved protein 0.0035 0.08 0.0649
Schistosoma mansoni hypothetical protein 0.0041 0.1045 0.1579
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0402 0.0487
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0024 0.0402 0.0487
Trypanosoma cruzi cdc2-related kinase 1 0.005 0.1388 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0024 0.0402 0.0487
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.005 0.1388 1
Onchocerca volvulus 0.0064 0.1912 0.1922
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0162 0.0824
Giardia lamblia Kinase, CMGC CDK 0.005 0.1388 1
Schistosoma mansoni tyrosinase precursor 0.0089 0.288 0.4859
Trichomonas vaginalis esterase, putative 0.0035 0.08 0.0789
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0196 0.0237
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.08 0.0649
Echinococcus multilocularis FTZ F1 alpha 0.0024 0.0402 0.0297
Echinococcus granulosus lamin 0.0026 0.0465 0.0375
Schistosoma mansoni serine/threonine protein kinase 0.005 0.1388 0.2192
Brugia malayi bHLH-PAS transcription factor 0.0035 0.08 0.0971
Loa Loa (eye worm) hypothetical protein 0.0035 0.08 0.0971
Brugia malayi Protein kinase domain containing protein 0.005 0.1388 0.1684
Mycobacterium ulcerans lipase LipD 0.0035 0.08 0.0753
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0402 0.0297
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1388 0.1515
Loa Loa (eye worm) hypothetical protein 0.0024 0.0402 0.0487
Entamoeba histolytica hypothetical protein 0.007 0.2135 1
Echinococcus granulosus GPCR family 2 0.0019 0.0196 0.0042
Trypanosoma brucei cdc2-related kinase 1 0.005 0.1388 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.1348 0.1635
Schistosoma mansoni hypothetical protein 0.0019 0.0196 0.006
Mycobacterium ulcerans hypothetical protein 0.0035 0.08 0.0753
Brugia malayi hypothetical protein 0.0228 0.8244 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.08 0.1142
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.08 0.0649
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1777 0.2156
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0402 0.0297
Entamoeba histolytica cell division protein kinase 2, putative 0.005 0.1388 0.6214
Loa Loa (eye worm) hypothetical protein 0.0029 0.0572 0.0694
Brugia malayi Pre-SET motif family protein 0.0201 0.7192 0.8723
Plasmodium falciparum protein kinase 5 0.005 0.1388 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0402 0.0487
Loa Loa (eye worm) hypothetical protein 0.0019 0.0196 0.0237
Loa Loa (eye worm) hypothetical protein 0.0024 0.0402 0.0487
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.08 0.0649
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0052 0.0063
Brugia malayi steroid hormone receptor 0.0024 0.0402 0.0487
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0572 0.0733
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0024 0.0402 0.0429
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0162 0.0824
Onchocerca volvulus 0.0035 0.08 0.0507
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0024 0.0402 0.0297
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0162 0.0196

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 uM PubChem BioAssay. A Novel Cell-Based Assay to Identify Small Molecules for B -Galactocerebrosidase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) 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
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (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.
 
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.