Detailed information for compound 596251

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 364.448 | Formula: C21H27F3N2
  • H donors: 1 H acceptors: 0 LogP: 4.93 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCCNCc1ccc(cc1)c1ccc(cc1)C(F)(F)F)CC
  • InChi: 1S/C21H27F3N2/c1-3-26(4-2)15-5-14-25-16-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21(22,23)24/h6-13,25H,3-5,14-16H2,1-2H3
  • InChiKey: CIUJZOFJRGHVDD-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
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0041 0.0071
Trypanosoma brucei polo-like protein kinase 0.0108 0.0754 0.518
Leishmania major GTP-binding protein, putative 0.0049 0.0259 0.1715
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0167 0.0292
Onchocerca volvulus 0.0191 0.1442 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0041 0.0204
Plasmodium falciparum histone acetyltransferase GCN5 0.0044 0.0222 0.5339
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0041 0.0071
Loa Loa (eye worm) hypothetical protein 0.0049 0.0264 0.0462
Loa Loa (eye worm) hypothetical protein 0.0191 0.1442 0.2518
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.068 0.1187
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0041 0.0071
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0113 0.0197
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.0264 0.0462
Mycobacterium ulcerans hypothetical protein 0.0191 0.1442 1
Toxoplasma gondii ABC1 family protein 0.0191 0.1442 1
Schistosoma mansoni hypothetical protein 0.0041 0.0193 0.0337
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0191 0.1442 0.143
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0049 0.0259 0.1715
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0099 0.068 0.3403
Brugia malayi Bromodomain containing protein 0.0035 0.0146 0.0732
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0041 0.0204
Brugia malayi jmjC domain containing protein 0.0038 0.0167 0.0837
Trypanosoma cruzi polo-like protein kinase, putative 0.0108 0.0754 0.518
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0049 0.0259 0.0452
Loa Loa (eye worm) beta-lactamase 0.0191 0.1442 0.2518
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0014 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0191 0.1442 0.2518
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0113 0.0197
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0167 0.0292
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.0321 0.0561
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.0264 0.0462
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0041 0.0071
Echinococcus granulosus snurportin 1 0.0706 0.5726 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0041 0.0071
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0041 0.0071
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0041 0.0071
Toxoplasma gondii HEAT repeat-containing protein 0.0066 0.0404 0.2732
Mycobacterium ulcerans beta-lactamase 0.0191 0.1442 1
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0041 0.0071
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0306 0.0535
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0049 0.0259 0.1295
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.0754 0.1316
Entamoeba histolytica hypothetical protein 0.0054 0.03 0.3868
Brugia malayi beta-lactamase family protein 0.0191 0.1442 0.7218
Plasmodium vivax hypothetical protein, conserved 0.0191 0.1442 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0041 0.0071
Entamoeba histolytica acetyltransferase, GNAT family 0.0044 0.0222 0.2816
Loa Loa (eye worm) hypothetical protein 0.0022 0.0041 0.0071
Schistosoma mansoni coup transcription factor 0.0022 0.0041 0.0071
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0041 0.0204
Plasmodium vivax importin-beta 2, putative 0.0066 0.0404 0.2732
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.0389 0.0679
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0041 0.0071
Echinococcus multilocularis beta LACTamase domain containing family member 0.0191 0.1442 0.2518
Brugia malayi MH2 domain containing protein 0.0258 0.1998 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0191 0.1442 0.143
Loa Loa (eye worm) acetyltransferase 0.0164 0.122 0.213
Echinococcus granulosus histone acetyltransferase KAT2B 0.016 0.1181 0.2063
Giardia lamblia Kinase, PLK 0.0108 0.0754 1
Trichomonas vaginalis D-aminoacylase, putative 0.0191 0.1442 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0041 0.0204
Brugia malayi nuclear hormone receptor 0.0022 0.0041 0.0204
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0167 0.0292
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0054 0.03 0.2004
Giardia lamblia Histone acetyltransferase GCN5 0.0044 0.0222 0.2816
Loa Loa (eye worm) hypothetical protein 0.0191 0.1442 0.2518
Loa Loa (eye worm) hypothetical protein 0.0113 0.0795 0.1389
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.0754 0.518
Brugia malayi nuclear receptor NHR-88 0.0022 0.0041 0.0204
Onchocerca volvulus Serine\/threonine kinase homolog 0.0108 0.0754 0.5087
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0041 0.0071
Echinococcus multilocularis geminin 0.037 0.2933 0.5122
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.0754 0.518
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0113 0.0694
Trichomonas vaginalis penicillin-binding protein, putative 0.0191 0.1442 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.068 0.1187
Brugia malayi RNA, U transporter 1 0.0188 0.1418 0.7098
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0041 0.0071
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0048 0.0256 0.1693
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0041 0.0071
Mycobacterium tuberculosis Probable lipase LipE 0.0191 0.1442 0.143
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0108 0.0754 0.1316
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.0264 0.0462
Schistosoma mansoni ap endonuclease 0.0019 0.0014 0.0024
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0041 0.0071
Mycobacterium leprae conserved hypothetical protein 0.0191 0.1442 0.5
Onchocerca volvulus 0.0191 0.1442 1
Mycobacterium tuberculosis Probable esterase LipL 0.0191 0.1442 0.143
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.0754 0.518
Trichomonas vaginalis CAMK family protein kinase 0.0054 0.0299 0.1999
Loa Loa (eye worm) hypothetical protein 0.0031 0.0113 0.0197
Loa Loa (eye worm) hypothetical protein 0.0056 0.0321 0.0561
Loa Loa (eye worm) hypothetical protein 0.0191 0.1442 0.2518
Brugia malayi steroid hormone receptor 0.0022 0.0041 0.0204
Onchocerca volvulus Alhambra homolog 0.0031 0.0113 0.0515
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0041 0.0071
Trypanosoma cruzi importin beta-1 subunit, putative 0.0054 0.03 0.2004
Echinococcus granulosus geminin 0.037 0.2933 0.5122
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0049 0.0259 0.1715
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0041 0.0204
Loa Loa (eye worm) hypothetical protein 0.0022 0.0041 0.0071
Loa Loa (eye worm) hypothetical protein 0.0022 0.0041 0.0071
Loa Loa (eye worm) hypothetical protein 0.0022 0.0041 0.0071
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0041 0.0071
Entamoeba histolytica Ran family GTPase 0.0049 0.0259 0.3311
Mycobacterium leprae Probable lipase LipE 0.0191 0.1442 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0041 0.0071
Loa Loa (eye worm) hypothetical protein 0.0066 0.0404 0.0706
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0198 0.1504 0.2626
Entamoeba histolytica serine/threonine protein kinase, putative 0.0108 0.0754 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0164 0.122 0.213
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0041 0.0204
Trichomonas vaginalis ran, putative 0.0049 0.0259 0.1715
Loa Loa (eye worm) hypothetical protein 0.0191 0.1442 0.2518
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.0754 0.518
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0014 0.0024
Trichomonas vaginalis importin beta-1, putative 0.0054 0.03 0.2004
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0041 0.0071
Trypanosoma cruzi hypothetical protein, conserved 0.0191 0.1442 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0099 0.068 0.1187
Echinococcus granulosus histone acetyltransferase KAT2B 0.0048 0.0256 0.0446
Schistosoma mansoni ap endonuclease 0.0019 0.0014 0.0024
Entamoeba histolytica hypothetical protein 0.0041 0.0193 0.2422
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0041 0.0071
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.068 0.1187
Onchocerca volvulus 0.0191 0.1442 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0041 0.0071
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0014 0.0024
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0264 0.0462
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.068 0.1187
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0041 0.0071
Mycobacterium tuberculosis Conserved protein 0.0191 0.1442 0.143
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0014 0.5
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0049 0.0259 0.3311
Schistosoma mansoni hypothetical protein 0.037 0.2933 0.5122
Brugia malayi hypothetical protein 0.0041 0.0193 0.0966
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0113 0.0795 0.398
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0191 0.1442 0.2518
Trichomonas vaginalis penicillin-binding protein, putative 0.0191 0.1442 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0048 0.0256 0.1693
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0113 0.0795 0.1389
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0193 0.0337
Echinococcus multilocularis FTZ F1 alpha 0.0113 0.0795 0.1389
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0048 0.0256 0.1693
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0041 0.0204
Echinococcus granulosus beta LACTamase domain containing family member 0.0191 0.1442 0.2518
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.0754 0.518
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.068 0.1187
Echinococcus multilocularis snurportin 1 0.0706 0.5726 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0102 0.0702 0.1226
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0054 0.03 0.2004
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0113 0.0694
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0113 0.0197
Loa Loa (eye worm) hypothetical protein 0.0053 0.0298 0.052
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0041 0.0204
Echinococcus granulosus peregrin 0.0035 0.0146 0.0256
Giardia lamblia PHD finger protein 15 0.0031 0.0113 0.1339
Schistosoma mansoni hypothetical protein 0.0031 0.0113 0.0197
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0049 0.0259 0.1715
Mycobacterium ulcerans esterase/lipase LipP 0.0191 0.1442 1
Loa Loa (eye worm) transcription factor SMAD2 0.0258 0.1998 0.3489
Echinococcus multilocularis peregrin 0.0035 0.0146 0.0256
Schistosoma mansoni kinase 0.0055 0.0311 0.0543
Brugia malayi beta-lactamase 0.0191 0.1442 0.7218
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.0754 0.518
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0041 0.0204
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0198 0.1504 0.2626
Schistosoma mansoni hypothetical protein 0.037 0.2933 0.5122
Schistosoma mansoni hypothetical protein 0.0091 0.0608 0.1063
Mycobacterium tuberculosis Conserved protein 0.0191 0.1442 0.143
Trichomonas vaginalis bromodomain-containing protein, putative 0.0048 0.0256 0.1693
Brugia malayi jmjC domain containing protein 0.0102 0.0702 0.3513
Schistosoma mansoni importin beta-1 0.0066 0.0404 0.0706
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0706 0.5726 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0163 0.0285
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0108 0.0754 0.518
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.0321 0.0561
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0041 0.0204
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0214 0.0374
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0041 0.0071
Onchocerca volvulus 0.0049 0.0264 0.1596
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0041 0.0071
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0163 0.0817
Trichomonas vaginalis D-aminoacylase, putative 0.0191 0.1442 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0102 0.0702 0.1226
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0049 0.0264 0.1596
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0113 0.0197
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.0264 0.0462
Echinococcus granulosus importin subunit beta 1 0.0066 0.0404 0.0706
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0048 0.0256 0.1693
Echinococcus granulosus FTZ F1 alpha 0.045 0.3594 0.6276
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0041 0.0204
Trypanosoma brucei hypothetical protein, conserved 0.0191 0.1442 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0108 0.0754 0.3772
Brugia malayi ecdysteroid receptor 0.0022 0.0041 0.0204
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0041 0.0071
Echinococcus granulosus GTP binding nuclear protein Ran 0.0049 0.0259 0.0452
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.0321 0.0561
Entamoeba histolytica hypothetical protein 0.0041 0.0193 0.2422
Brugia malayi Importin beta-1 subunit 0.0066 0.0404 0.2022
Trichomonas vaginalis D-aminoacylase, putative 0.0191 0.1442 1
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0193 0.0337
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0113 0.0795 0.1389
Brugia malayi PHD-finger family protein 0.0031 0.0113 0.0565
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0041 0.0071
Loa Loa (eye worm) hypothetical protein 0.0022 0.0041 0.0071
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0113 0.0694
Schistosoma mansoni hypothetical protein 0.0304 0.2381 0.4159
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0041 0.0071
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0014 0.0024
Schistosoma mansoni ran 0.0049 0.0259 0.0452
Brugia malayi mbt repeat family protein 0.0049 0.0264 0.1323
Leishmania major hypothetical protein, conserved 0.0191 0.1442 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0066 0.0404 0.2732
Schistosoma mansoni jumonji domain containing protein 0.0081 0.0528 0.0921
Brugia malayi beta-lactamase family protein 0.0191 0.1442 0.7218
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0306 0.1534
Mycobacterium tuberculosis Conserved protein 0.0191 0.1442 0.143
Loa Loa (eye worm) hypothetical protein 0.0191 0.1442 0.2518
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.0321 0.1608
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0049 0.0259 0.0452
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0113 0.0795 0.1389
Mycobacterium ulcerans lipase LipD 0.0191 0.1442 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0041 0.0071
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0041 0.0204
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0108 0.0754 0.1316
Loa Loa (eye worm) hypothetical protein 0.0054 0.0306 0.0535
Loa Loa (eye worm) hypothetical protein 0.0191 0.1442 0.2518
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.068 0.1187
Schistosoma mansoni ran 0.0049 0.0259 0.0452
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0041 0.0204
Brugia malayi mbt repeat family protein 0.0049 0.0264 0.1323
Plasmodium falciparum importin beta, putative 0.0066 0.0404 1
Entamoeba histolytica hypothetical protein 0.0041 0.0193 0.2422
Echinococcus multilocularis importin subunit beta 1 0.0066 0.0404 0.0706
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0306 0.1534
Trypanosoma brucei importin beta-1 subunit, putative 0.0066 0.0404 0.2732
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0041 0.0071
Plasmodium falciparum phd finger protein, putative 0.0031 0.0113 0.2539
Trypanosoma cruzi polo-like protein kinase, putative 0.0108 0.0754 0.518
Mycobacterium tuberculosis Probable lipase LipD 0.0191 0.1442 0.143
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.0264 0.0462
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0041 0.0071
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0193 0.0337
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0041 0.0071
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0041 0.0071
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.0754 0.518
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0167 0.0292
Leishmania major importin beta-1 subunit, putative 0.0054 0.03 0.2004
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0014 0.0069
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0041 0.0071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0041 0.0071
Loa Loa (eye worm) hypothetical protein 0.0022 0.0041 0.0071
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.0321 0.0561
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.068 0.1187
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.0321 0.0561
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0191 0.1442 0.143
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0108 0.0754 0.1316
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0191 0.1442 1
Mycobacterium tuberculosis Probable hydrolase 0.0191 0.1442 0.143
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0191 0.1442 0.2518
Brugia malayi acetyltransferase, GNAT family protein 0.0164 0.122 0.6105
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0264 0.0462
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0167 0.0292
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0049 0.0259 0.1715
Loa Loa (eye worm) MH2 domain-containing protein 0.0258 0.1998 0.3489
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0191 0.1442 0.7218
Trichomonas vaginalis CAMK family protein kinase 0.0054 0.0299 0.1999
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.0264 0.0462
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0164 0.122 0.213
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0041 0.0204
Schistosoma mansoni hypothetical protein 0.0037 0.0163 0.0285
Trypanosoma cruzi hypothetical protein, conserved 0.0191 0.1442 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0049 0.0259 0.6278
Entamoeba histolytica hypothetical protein 0.0041 0.0193 0.2422
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0041 0.0071
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0214 0.0374
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0049 0.0259 0.1715
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0113 0.0795 0.398
Schistosoma mansoni hypothetical protein 0.0706 0.5726 1
Loa Loa (eye worm) MBCTL1 0.0056 0.0321 0.0561
Trichomonas vaginalis esterase, putative 0.0191 0.1442 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -0.45 % 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 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 2.78 % 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) = 5.63 % 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) = 35 % 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) = 53 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 95 % 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) = 7.53 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = -4 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 35 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 53 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 95 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.99324 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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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