Detailed information for compound 601420

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 472.043 | Formula: C25H30ClN3O2S
  • H donors: 2 H acceptors: 2 LogP: 4.78 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC1CCN(CC1)CCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)c1ccccc1.Cl
  • InChi: 1S/C25H29N3O2S.ClH/c26-23-15-18-28(19-16-23)17-14-20-6-10-24(11-7-20)27-31(29,30)25-12-8-22(9-13-25)21-4-2-1-3-5-21;/h1-13,23,27H,14-19,26H2;1H
  • InChiKey: ZHRBHBMHMKDKMY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0041 0.0804 0.1411
Schistosoma mansoni hypothetical protein 0.0022 0.0341 0.02
Loa Loa (eye worm) hypothetical protein 0.0153 0.36 0.5624
Leishmania major hypothetical protein, conserved 0.0216 0.5157 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 0.0549 0.0412
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0146 0.3431 0.3429
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0041 0.0804 0.1411
Loa Loa (eye worm) hypothetical protein 0.0016 0.0187 0.0292
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0187 0.0292
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.7167 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.0187 0.0184
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.0549 0.0412
Echinococcus multilocularis cpg binding protein 0.003 0.054 0.0537
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0015 0.0143 0.014
Loa Loa (eye worm) hypothetical protein 0.0015 0.0143 0.0224
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.7167 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0041 0.0804 0.0801
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0041 0.0804 0.135
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0499 0.0779
Schistosoma mansoni hypothetical protein 0.0015 0.0163 0.002
Schistosoma mansoni ap endonuclease 0.0041 0.0804 0.067
Mycobacterium ulcerans hypothetical protein 0.0025 0.04 0.0494
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.114 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0163 0.016
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.1028 1
Schistosoma mansoni coup transcription factor 0.0031 0.0549 0.0412
Loa Loa (eye worm) hypothetical protein 0.0015 0.0143 0.0224
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0041 0.0804 0.0175
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0988 0.1544
Onchocerca volvulus Bile acid receptor homolog 0.0031 0.0549 0.1174
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 0.0549 0.0546
Mycobacterium ulcerans hypothetical protein 0.0025 0.04 0.0494
Schistosoma mansoni hypothetical protein 0.0146 0.3431 0.3335
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0296 0.7167 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 0.0549 0.0412
Echinococcus multilocularis nuclear receptor nhr 48 0.0015 0.0143 0.014
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.1028 0.1855
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.0187 0.0184
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0031 0.0549 0.0858
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0804 0.0597
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0031 0.0549 0.1174
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0187 0.0292
Trypanosoma cruzi hypothetical protein, conserved 0.0216 0.5157 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0549 0.0858
Schistosoma mansoni hypothetical protein 0.0172 0.4063 0.3977
Brugia malayi steroid hormone receptor 0.0031 0.0549 0.0858
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0031 0.0549 0.0858
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0041 0.0804 0.1133
Echinococcus granulosus cpg binding protein 0.003 0.054 0.0537
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0606 0.0947
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.2672 0.4175
Loa Loa (eye worm) hypothetical protein 0.0015 0.0143 0.0224
Loa Loa (eye worm) hypothetical protein 0.0033 0.0606 0.0947
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.1028 0.1855
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0549 0.0546
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0549 0.0858
Echinococcus granulosus thyroid hormone receptor alpha 0.0015 0.0143 0.014
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.7167 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0163 0.016
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0549 0.0546
Echinococcus granulosus GPCR family 2 0.0015 0.0163 0.016
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 0.0549 0.0546
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.1028 0.1855
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0031 0.0549 0.0858
Schistosoma mansoni cpg binding protein 0.0029 0.0499 0.036
Loa Loa (eye worm) hypothetical protein 0.0031 0.0549 0.0858
Brugia malayi Cytochrome P450 family protein 0.0012 0.0088 0.0138
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0015 0.0143 0.014
Brugia malayi nuclear receptor RXR 0.0015 0.0143 0.0224
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0031 0.0549 0.0546
Loa Loa (eye worm) hypothetical protein 0.0015 0.0143 0.0224
Echinococcus granulosus Nuclear hormone receptor HR96 0.0015 0.0143 0.014
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.7167 1
Brugia malayi ecdysone receptor 0.0015 0.0143 0.0224
Loa Loa (eye worm) hypothetical protein 0.0031 0.0549 0.0858
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0163 0.016
Schistosoma mansoni hypothetical protein 0.0015 0.0163 0.002
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0187 0.0044
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0025 0.04 0.0494
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 0.0549 0.0412
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0145 0.3389 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0143 0.0224
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.1303 0.1176
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0549 0.0546
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0031 0.0549 0.0858
Echinococcus granulosus FTZ F1 alpha 0.0031 0.0549 0.0546
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0031 0.0549 0.0546
Loa Loa (eye worm) hypothetical protein 0.0031 0.0549 0.0858
Brugia malayi MH2 domain containing protein 0.0116 0.2672 0.4174
Trichomonas vaginalis glutaminase, putative 0.0265 0.64 0.8867
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0549 0.0858
Echinococcus granulosus citrate lyase subunit beta protein 0.0025 0.04 0.0397
Onchocerca volvulus 0.0153 0.36 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0549 0.0858
Brugia malayi tailless protein 0.0015 0.0143 0.0224
Schistosoma mansoni hypothetical protein 0.0033 0.0606 0.047
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0031 0.0549 0.0546
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0022 0.0341 0.0338
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.1028 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0187 0.0292
Schistosoma mansoni hypothetical protein 0.0036 0.069 0.0555
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0088 0.0138
Loa Loa (eye worm) glutaminase 2 0.0265 0.64 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0031 0.0549 0.0858
Echinococcus granulosus Nuclear hormone receptor HR96 0.0015 0.0143 0.014
Trichomonas vaginalis ap endonuclease, putative 0.0041 0.0804 0.0597
Loa Loa (eye worm) steroid hormone receptor 0.0031 0.0549 0.0858
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0088 0.0138
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0003 0.0005
Schistosoma mansoni thyroid hormone receptor 0.0177 0.4199 0.4114
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.1028 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.7167 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0031 0.0549 0.0858
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0549 0.0412
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0145 0.3389 0.5229
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0163 0.016
Echinococcus granulosus geminin 0.0172 0.4063 0.4061
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0025 0.04 0.0615
Brugia malayi nuclear hormone receptor 0.0015 0.0143 0.0224
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0041 0.0804 0.1411
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 0.0549 0.0546
Echinococcus multilocularis thyroid hormone receptor alpha 0.0177 0.4199 0.4197
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.069 0.0687
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0031 0.0549 0.0858
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.069 0.0687
Loa Loa (eye worm) hypothetical protein 0.0031 0.0549 0.0858
Loa Loa (eye worm) hypothetical protein 0.0015 0.0143 0.0224
Brugia malayi hypothetical protein 0.0015 0.0143 0.0224
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0988 0.1544
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.069 0.0555
Brugia malayi CXXC zinc finger family protein 0.0029 0.0499 0.0779
Schistosoma mansoni glutaminase 0.0265 0.64 0.6348
Loa Loa (eye worm) hypothetical protein 0.0016 0.0187 0.0292
Brugia malayi Steroid receptor seven-up type 2 0.0031 0.0549 0.0858
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0031 0.0549 0.0412
Brugia malayi conserved hypotetical protein 0.0015 0.0143 0.0224
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0041 0.0804 0.1411
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0187 0.0044
Mycobacterium ulcerans glutaminase 0.0265 0.64 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0296 0.7167 1
Brugia malayi Cytochrome P450 family protein 0.0012 0.0088 0.0138
Echinococcus multilocularis GPCR, family 2 0.0015 0.0163 0.016
Loa Loa (eye worm) hypothetical protein 0.0015 0.0143 0.0224
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0041 0.0804 0.1256
Brugia malayi hypothetical protein 0.005 0.1028 0.1607
Brugia malayi hypothetical protein 0.0015 0.0143 0.0224
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0031 0.0549 0.0858
Onchocerca volvulus 0.0029 0.0499 0.1028
Brugia malayi hypothetical protein 0.0153 0.36 0.5624
Loa Loa (eye worm) hypothetical protein 0.0031 0.0549 0.0858
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0031 0.0549 0.0858
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0041 0.0804 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 0.0549 0.0412
Loa Loa (eye worm) nuclear receptor NHR-67 0.0015 0.0143 0.0224
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.1028 0.6671
Loa Loa (eye worm) hypothetical protein 0.0031 0.0549 0.0858
Loa Loa (eye worm) nuclear hormone receptor 0.0015 0.0143 0.0224
Giardia lamblia Fructose-bisphosphate aldolase 0.0296 0.7167 1
Brugia malayi hypothetical protein 0.0032 0.0586 0.0916
Loa Loa (eye worm) hypothetical protein 0.0015 0.0143 0.0224
Loa Loa (eye worm) hypothetical protein 0.005 0.1028 0.1607
Brugia malayi ecdysteroid receptor 0.0031 0.0549 0.0858
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0025 0.04 0.0494
Loa Loa (eye worm) hypothetical protein 0.0015 0.0143 0.0224
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0015 0.0143 0.014
Schistosoma mansoni hypothetical protein 0.0015 0.0163 0.002
Treponema pallidum fructose-bisphosphate aldolase 0.0296 0.7167 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0187 0.0292
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0015 0.0143 0.0224
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0088 0.0138
Loa Loa (eye worm) hypothetical protein 0.0015 0.0143 0.0224
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0031 0.0549 0.0546
Echinococcus multilocularis geminin 0.0172 0.4063 0.4061
Schistosoma mansoni cpg binding protein 0.003 0.054 0.0402
Brugia malayi hypothetical protein 0.0016 0.0187 0.0292
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0146 0.3431 0.3429
Brugia malayi exodeoxyribonuclease III family protein 0.0041 0.0804 0.1256
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0015 0.0143 0.014
Schistosoma mansoni retinoic acid receptor RXR 0.0031 0.0549 0.0412
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0025 0.04 0.0615
Brugia malayi hypothetical protein 0.0036 0.069 0.1078
Schistosoma mansoni cpg binding protein 0.003 0.054 0.0402
Brugia malayi nuclear receptor RXR 0.0016 0.0187 0.0292
Brugia malayi nuclear receptor NHR-88 0.0031 0.0549 0.0858
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0015 0.0143 0.014
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0031 0.0549 0.0858
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.7167 1
Leishmania major hypothetical protein, conserved 0.005 0.1028 0.1855
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0549 0.0858
Echinococcus multilocularis FTZ F1 alpha 0.0031 0.0549 0.0546
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0163 0.0255
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0022 0.0341 0.0338
Echinococcus multilocularis dnaJ subfamily B 0.041 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0031 0.0549 0.1174
Echinococcus granulosus nuclear receptor nhr 48 0.0015 0.0143 0.014
Onchocerca volvulus 0.0031 0.0549 0.1174
Loa Loa (eye worm) glutaminase 0.0265 0.64 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0549 0.0858
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0988 0.1544
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0015 0.0143 0.0224
Schistosoma mansoni RAR-like nuclear receptor 0.0031 0.0549 0.0412
Brugia malayi nuclear receptor NHR-88 0.0015 0.0143 0.0224
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0031 0.0549 0.0546
Brugia malayi nuclear receptor NHR-67 0.0015 0.0143 0.0224
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0025 0.04 0.0494
Schistosoma mansoni ap endonuclease 0.0041 0.0804 0.067
Echinococcus granulosus ecdysone induced protein 78C 0.0031 0.0549 0.0546
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0031 0.0549 0.0858
Brugia malayi orphan nuclear receptor NR2E1 0.0015 0.0143 0.0224
Loa Loa (eye worm) hypothetical protein 0.0015 0.0143 0.0224
Brugia malayi glutaminase DH11.1 0.0265 0.64 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.7167 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 0.0549 0.0412
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0145 0.3389 1
Schistosoma mansoni hypothetical protein 0.0172 0.4063 0.3977
Schistosoma mansoni thyroid hormone receptor 0.0177 0.4199 0.4114
Brugia malayi nuclear hormone receptor family member odr-7 0.0015 0.0143 0.0224
Brugia malayi Nuclear hormone receptor E75 0.0015 0.0143 0.0224
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.7167 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0549 0.0858
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.2672 0.4175
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0031 0.0549 0.0546
Brugia malayi hypothetical protein 0.0016 0.0187 0.0292
Brugia malayi Nuclear hormone receptor E75 0.0015 0.0143 0.0224
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0163 0.0254
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0163 0.0254
Loa Loa (eye worm) hypothetical protein 0.0048 0.0988 0.1544
Echinococcus multilocularis citrate lyase subunit beta protein 0.0025 0.04 0.0397
Schistosoma mansoni hypothetical protein 0.0015 0.0163 0.002
Loa Loa (eye worm) hypothetical protein 0.0015 0.0143 0.0224
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0031 0.0549 0.0858
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0025 0.04 0.0615
Loa Loa (eye worm) hypothetical protein 0.0015 0.0163 0.0255
Brugia malayi photoreceptor-specific nuclear receptor 0.0031 0.0549 0.0858
Loa Loa (eye worm) hypothetical protein 0.0016 0.0187 0.0292
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0031 0.0549 0.0546
Brugia malayi nuclear hormone receptor family member nhr-6 0.0015 0.0143 0.0224
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0031 0.0549 0.0858
Loa Loa (eye worm) hypothetical protein 0.0015 0.0143 0.0224
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0549 0.0858
Trypanosoma cruzi hypothetical protein, conserved 0.0216 0.5157 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0015 0.0143 0.014
Trypanosoma brucei hypothetical protein, conserved 0.0216 0.5157 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0016 0.0187 0.0292
Brugia malayi nuclear hormone receptor 0.0031 0.0549 0.0858
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0549 0.0858
Loa Loa (eye worm) DR-78 0.0015 0.0143 0.0224
Schistosoma mansoni hypothetical protein 0.041 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0041 0.0804 0.0801
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0549 0.0546
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0031 0.0549 0.0858
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0015 0.0143 0.014

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -0.24 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 0 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 0.08 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 0.64 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 17 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 19 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 100 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 12.5 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 0 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 17 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 19 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 100 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 5.99 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 1.01697 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

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.

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