Detailed information for compound 225327

Basic information

Technical information
  • TDR Targets ID: 225327
  • Name: 3-[benzyl(methyl)amino]-N-[2-(2,4-dichlorophe nyl)sulfanylphenyl]propanamide
  • MW: 445.405 | Formula: C23H22Cl2N2OS
  • H donors: 1 H acceptors: 1 LogP: 5.89 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(Cc1ccccc1)CCC(=O)Nc1ccccc1Sc1ccc(cc1Cl)Cl
  • InChi: 1S/C23H22Cl2N2OS/c1-27(16-17-7-3-2-4-8-17)14-13-23(28)26-20-9-5-6-10-22(20)29-21-12-11-18(24)15-19(21)25/h2-12,15H,13-14,16H2,1H3,(H,26,28)
  • InChiKey: VNFICCZXOXJULI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[benzyl(methyl)amino]-N-[2-[(2,4-dichlorophenyl)thio]phenyl]propanamide
  • N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-[methyl(phenylmethyl)amino]propanamide
  • 3-[benzyl(methyl)amino]-N-[2-[(2,4-dichlorophenyl)thio]phenyl]propionamide
  • N-[2-(2,4-dichlorophenyl)sulfanylphenyl]-3-(methyl-(phenylmethyl)amino)propanamide
  • N-[2-[(2,4-dichlorophenyl)thio]phenyl]-3-(methyl-(phenylmethyl)amino)propanamide
  • 3-(benzyl-methyl-amino)-N-[2-[(2,4-dichlorophenyl)thio]phenyl]propionamide

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
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.0551 0.0342
Echinococcus multilocularis CAAX prenyl protease 2 0.0102 0.1098 0.0901
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0074 0.0727 0.0509
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.004 0.026 0.4674
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0437 0.0226
Loa Loa (eye worm) oxidoreductase 0.0061 0.0551 0.0834
Schistosoma mansoni alpha-glucosidase 0.0156 0.1831 0.164
Echinococcus multilocularis geminin 0.0186 0.224 0.2069
Entamoeba histolytica aldose reductase, putative 0.0061 0.0551 0.502
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.0643 0.1002
Onchocerca volvulus 0.0061 0.0551 0.0485
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.0551 0.0342
Echinococcus multilocularis lysine specific demethylase 5A 0.0068 0.0643 0.0437
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0062 0.0557 0.0336
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0437 0.0226
Brugia malayi ImpB/MucB/SamB family protein 0.0043 0.0302 0.0381
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.026 0.2371
Toxoplasma gondii calcium binding egf domain-containing protein 0.004 0.0253 0.4542
Loa Loa (eye worm) hypothetical protein 0.0043 0.0302 0.0381
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0061 0.0551 0.0474
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.0581 0.4856
Schistosoma mansoni DNA polymerase eta 0.0043 0.0302 0.0075
Plasmodium vivax glutathione reductase, putative 0.0036 0.0211 0.3788
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0083 0.0847 0.8702
Echinococcus multilocularis laminin 0.004 0.0253 0.0038
Trypanosoma cruzi aldo/keto reductase, putative 0.0061 0.0551 0.456
Trypanosoma cruzi trypanothione reductase, putative 0.0036 0.0211 0.1176
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.0551 0.0342
Loa Loa (eye worm) oxidoreductase 0.0061 0.0551 0.0834
Entamoeba histolytica CAAX prenyl protease family 0.0102 0.1098 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.0551 0.0474
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.0551 0.0342
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0083 0.0847 0.8098
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.004 0.0253 0.0292
Echinococcus granulosus hypothetical protein 0.0061 0.0551 0.0342
Leishmania major DNA polymerase eta, putative 0.003 0.0127 0.0345
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0467 0.0681
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0437 0.0213
Onchocerca volvulus 0.0062 0.0557 0.0495
Echinococcus granulosus aldehyde reductase 0.0044 0.0309 0.0095
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.0551 0.0474
Loa Loa (eye worm) hypothetical protein 0.004 0.0253 0.0292
Brugia malayi glutathione reductase 0.0036 0.0211 0.0215
Echinococcus multilocularis lysosomal alpha glucosidase 0.0181 0.2173 0.2001
Schistosoma mansoni aldo-keto reductase 0.0061 0.0551 0.033
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0093 0.4397
Mycobacterium tuberculosis Probable reductase 0.0083 0.0847 0.8702
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.0551 0.0342
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.0581 0.529
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0102 0.1098 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0557 0.0336
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0093 0.4397
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0557 0.0336
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0102 0.1098 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.0551 0.0342
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.0551 0.0342
Loa Loa (eye worm) hypothetical protein 0.004 0.0253 0.0292
Chlamydia trachomatis hypothetical protein 0.0021 0 0.5
Brugia malayi Thioredoxin reductase 0.0036 0.0211 0.0215
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0581 0.4856
Echinococcus granulosus dna polymerase eta 0.0043 0.0302 0.0088
Loa Loa (eye worm) hypothetical protein 0.004 0.0253 0.0292
Giardia lamblia Hypothetical protein 0.0102 0.1098 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.0551 0.0342
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0581 0.4856
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0437 0.0626
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.0551 0.0342
Schistosoma mansoni pol-related 0.0061 0.0551 0.033
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0068 0.0643 0.0437
Onchocerca volvulus 0.0105 0.1137 0.1439
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.026 0.2371
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0061 0.0551 0.456
Trichomonas vaginalis aldo/keto reductase, putative 0.0061 0.0551 0.0474
Trypanosoma cruzi DNA polymerase eta, putative 0.003 0.0127 0.0345
Brugia malayi Fibulin-1 precursor 0.004 0.0253 0.0292
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0102 0.1098 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.0551 0.0474
Echinococcus multilocularis neutral alpha glucosidase AB 0.004 0.026 0.0045
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.0581 0.0373
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0437 0.0626
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.004 0.0253 0.0024
Onchocerca volvulus 0.0061 0.0546 0.0478
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.0551 0.0474
Echinococcus granulosus CAAX prenyl protease 2 0.0102 0.1098 0.0901
Echinococcus granulosus neutral alpha glucosidase AB 0.004 0.026 0.0045
Loa Loa (eye worm) hypothetical protein 0.004 0.0253 0.0292
Trypanosoma cruzi aldo-keto reductase 0.0061 0.0551 0.456
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.0551 0.0342
Mycobacterium tuberculosis Probable dehydrogenase 0.0083 0.0847 0.8702
Schistosoma mansoni hypothetical protein 0.0186 0.224 0.2058
Echinococcus multilocularis dna polymerase eta 0.0043 0.0302 0.0088
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0102 0.1098 0.1364
Mycobacterium tuberculosis Probable oxidoreductase 0.0061 0.0551 0.5662
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0083 0.0847 0.8702
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.004 0.026 0.0305
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.0551 0.0342
Schistosoma mansoni microtubule-associated protein tau 0.0756 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0074 0.0727 0.0509
Schistosoma mansoni hypothetical protein 0.0186 0.224 0.2058
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.0551 0.0474
Echinococcus granulosus laminin 0.004 0.0253 0.0038
Trypanosoma cruzi DNA polymerase eta, putative 0.0043 0.0302 0.2083
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0061 0.0551 0.0834
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0061 0.0551 0.3647
Plasmodium vivax SET domain protein, putative 0.0062 0.0557 1
Echinococcus multilocularis aldo keto reductase 0.0061 0.0551 0.0342
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.0218 0.0002
Brugia malayi Pre-SET motif family protein 0.0431 0.5586 1
Onchocerca volvulus 0.0074 0.0727 0.0771
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.0218 0.0002
Trichomonas vaginalis set domain proteins, putative 0.0491 0.6397 1
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.004 0.0253 0.0292
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0061 0.0551 0.0474
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0092 0.0973 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.0551 0.0342
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0102 0.1098 0.0889
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0061 0.0551 0.456
Loa Loa (eye worm) hypothetical protein 0.0061 0.0551 0.0834
Onchocerca volvulus 0.0061 0.0551 0.0485
Toxoplasma gondii thioredoxin reductase 0.0036 0.0211 0.3788
Toxoplasma gondii ImpB/MucB/SamB family protein 0.003 0.0127 0.2288
Brugia malayi jmjC domain containing protein 0.0068 0.0643 0.1002
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.0551 0.0342
Brugia malayi Calcium binding EGF domain containing protein 0.004 0.0253 0.0292
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.0551 0.0342
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0061 0.0551 0.0834
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0467 0.0681
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.0551 0.0342
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.0551 0.0474
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0061 0.0551 0.0834
Loa Loa (eye worm) oxidoreductase 0.0061 0.0551 0.0834
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0068 0.0643 0.0437
Trypanosoma brucei aldo-keto reductase, putative 0.0061 0.0551 0.456
Loa Loa (eye worm) hypothetical protein 0.0074 0.0727 0.1154
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0102 0.1098 0.0889
Echinococcus granulosus geminin 0.0186 0.224 0.2069
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0581 0.4856
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.0551 0.0342
Loa Loa (eye worm) hypothetical protein 0.004 0.0253 0.0292
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.0581 0.0888
Schistosoma mansoni egf-like domain protein 0.004 0.0253 0.0024
Echinococcus granulosus aldo keto reductase 0.0061 0.0551 0.0342
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.004 0.0253 0.0292
Echinococcus granulosus aldo keto reductase 0.0061 0.0551 0.0342
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0061 0.0551 0.0834
Trypanosoma brucei prostaglandin f synthase 0.0061 0.0551 0.456
Trichomonas vaginalis aldo/keto reductase, putative 0.0061 0.0551 0.0474
Loa Loa (eye worm) hypothetical protein 0.0055 0.0467 0.0681
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0437 0.0226
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.0581 0.0888
Trypanosoma brucei CAAX amino terminal protease, putative 0.0102 0.1098 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.1098 0.1829
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.006 0.0526 0.0317
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.0551 0.0342
Loa Loa (eye worm) oxidoreductase 0.0061 0.0551 0.0834
Trypanosoma brucei trypanothione reductase 0.0036 0.0211 0.1176
Entamoeba histolytica aldose reductase, putative 0.0061 0.0551 0.502
Echinococcus multilocularis Tolloid protein 1 0.004 0.0253 0.0038
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0229 0.0248
Echinococcus multilocularis aldo keto reductase 0.0061 0.0551 0.0342
Brugia malayi Glycosyl hydrolases family 31 protein 0.004 0.026 0.0305
Schistosoma mansoni polycystin 1-related 0.0045 0.0333 0.0106
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0062 0.0557 1
Onchocerca volvulus 0.0491 0.6397 1
Loa Loa (eye worm) bone morphogenetic protein 1b 0.004 0.0253 0.0292
Leishmania major alpha glucosidase II subunit, putative 0.004 0.026 0.1667
Plasmodium falciparum thioredoxin reductase 0.0036 0.0211 1
Brugia malayi Trypsin family protein 0.0074 0.0727 0.1154
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0093 0.1665
Mycobacterium tuberculosis Probable oxidoreductase 0.0092 0.0973 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0181 0.2173 0.2001
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.0581 0.0373
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.0551 0.0342
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0092 0.0973 1
Schistosoma mansoni alpha glucosidase 0.004 0.026 0.0032
Wolbachia endosymbiont of Brugia malayi extracellular metallopeptidase 0.0517 0.6748 0.5
Echinococcus multilocularis fibrillin 1 0.004 0.0253 0.0038
Echinococcus granulosus lysine specific demethylase 5A 0.0068 0.0643 0.0437
Brugia malayi jmjC domain containing protein 0.0068 0.0643 0.1002
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.0551 0.0474
Schistosoma mansoni alpha-glucosidase 0.0156 0.1831 0.164
Trypanosoma brucei DNA polymerase eta, putative 0.0043 0.0302 0.2083
Leishmania major DNA polymerase eta, putative 0.0043 0.0302 0.2083
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.0551 0.0474
Echinococcus multilocularis aldo keto reductase 0.0061 0.0551 0.0342
Mycobacterium ulcerans oxidoreductase 0.0061 0.0551 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0727 0.1154
Loa Loa (eye worm) glutathione reductase 0.0036 0.0211 0.0215
Leishmania major trypanothione reductase 0.0036 0.0211 0.1176
Toxoplasma gondii aldose reductase, putative 0.0061 0.0551 0.9895
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0181 0.2173 0.3788
Onchocerca volvulus 0.0061 0.0551 0.0485
Trichomonas vaginalis aldo/keto reductase, putative 0.0061 0.0551 0.0474
Leishmania major prostaglandin f synthase, putative 0.0061 0.0551 0.456
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0061 0.0551 0.0474
Echinococcus multilocularis aldo keto reductase 0.0061 0.0551 0.0342
Echinococcus granulosus Tolloid protein 1 0.004 0.0253 0.0038
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.0551 0.0474
Trypanosoma brucei glucosidase, putative 0.004 0.026 0.1667
Onchocerca volvulus 0.0061 0.0551 0.0485
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0093 0.1665
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.0581 0.036
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0467 0.0681
Brugia malayi Pre-SET motif family protein 0.0062 0.0557 0.0845
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0437 0.0226
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0557 0.0336
Echinococcus granulosus histone lysine methyltransferase setb 0.0062 0.0557 0.0348
Loa Loa (eye worm) hypothetical protein 0.0062 0.0557 0.0845
Schistosoma mansoni jumonji domain containing protein 0.0068 0.0643 0.0424
Echinococcus granulosus lysosomal alpha glucosidase 0.0181 0.2173 0.2001
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0092 0.0973 1
Onchocerca volvulus 0.0061 0.0551 0.0485
Echinococcus multilocularis microtubule associated protein 2 0.0756 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.0551 0.0342
Schistosoma mansoni aldo-keto reductase 0.0061 0.0551 0.033
Brugia malayi CAAX amino terminal protease family protein 0.0102 0.1098 0.1829
Schistosoma mansoni jumonji/arid domain-containing protein 0.0068 0.0643 0.0424
Toxoplasma gondii calcium binding egf domain-containing protein 0.004 0.0253 0.4542
Loa Loa (eye worm) thioredoxin reductase 0.0036 0.0211 0.0215
Onchocerca volvulus 0.0061 0.0551 0.0485
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.026 0.1667
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0083 0.0847 0.8702
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0062 0.0557 0.0348
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.0551 0.0474
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0062 0.0557 0.0348
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.026 0.1667
Plasmodium falciparum glutathione reductase 0.0036 0.0211 1
Loa Loa (eye worm) oxidoreductase 0.0061 0.0551 0.0834
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.0551 0.0474
Plasmodium vivax thioredoxin reductase, putative 0.0036 0.0211 0.3788
Leishmania major aldo-keto reductase-like protein 0.0061 0.0551 0.456
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0431 0.5586 1
Entamoeba histolytica aldose reductase, putative 0.0061 0.0551 0.502
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0083 0.0847 0.8702
Brugia malayi Glycosyl hydrolases family 31 protein 0.0181 0.2173 0.3788
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0437 0.0213
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0036 0.0211 0.2168
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0437 0.0213
Treponema pallidum hypothetical protein 0.0021 0 0.5
Echinococcus granulosus aldo keto reductase 0.0061 0.0551 0.0342
Echinococcus multilocularis aldehyde reductase 0.0044 0.0309 0.0095
Loa Loa (eye worm) hypothetical protein 0.0038 0.0229 0.0248
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.0551 0.0342
Schistosoma mansoni jumonji/arid domain-containing protein 0.0068 0.0643 0.0424
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.0551 0.0474

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical interaction assay ChEMBL. 11052808
IC50 (binding) > 100 uM Ability to block the interaction between integrin LFA-1 and its adhesion partner ICAM-1 in a time-resolved fluorescent LFA-1/ICAM-1 biochemical interaction assay ChEMBL. 11052808

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

1 literature reference was collected for this gene.

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