Detailed information for compound 603575

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 369.888 | Formula: C21H24ClN3O
  • H donors: 2 H acceptors: 2 LogP: 4.82 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc2c(c1)c(N)ccn2)CCCCCc1ccccc1.Cl
  • InChi: 1S/C21H23N3O.ClH/c22-19-13-14-23-20-12-11-17(15-18(19)20)24-21(25)10-6-2-5-9-16-7-3-1-4-8-16;/h1,3-4,7-8,11-15H,2,5-6,9-10H2,(H2,22,23)(H,24,25);1H
  • InChiKey: VSHMDJWNPUFNMV-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
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0075 0.0129 0.0129
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0021 0.0007 0.0972
Onchocerca volvulus 0.0049 0.0069 0.1597
Schistosoma mansoni bromodomain containing protein 0.0071 0.012 0.012
Brugia malayi photoreceptor-specific nuclear receptor 0.0142 0.0279 0.1887
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.0075 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0069 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0019 0.0003 0.0003
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0028 0.2073
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0037 0.1484
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0067 0.0111 0.081
Trichomonas vaginalis chromobox protein, putative 0.0078 0.0135 1
Loa Loa (eye worm) DR-78 0.0067 0.0111 0.081
Schistosoma mansoni intermediate filament proteins 0.0031 0.003 0.003
Echinococcus granulosus GPCR family 2 0.0033 0.0034 0.0034
Toxoplasma gondii target of rapamycin (TOR), putative 0.0037 0.0045 0.5933
Loa Loa (eye worm) RNA binding protein 0.0138 0.0272 0.2023
Plasmodium falciparum acyl-CoA synthetase 0.0036 0.0042 0.5566
Brugia malayi ecdysteroid receptor 0.0142 0.0279 0.1887
Echinococcus granulosus lamin dm0 0.0031 0.003 0.003
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.0045 0.0045
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0069 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0116 0.0223 0.8837
Loa Loa (eye worm) hypothetical protein 0.0036 0.0042 0.0291
Brugia malayi hypothetical protein 0.0075 0.0129 0.087
Brugia malayi steroid hormone receptor 0.0142 0.0279 0.1887
Echinococcus granulosus lamin 0.0031 0.003 0.003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0021 0.1582
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.005 0.0074 0.9804
Trichomonas vaginalis chromobox protein, putative 0.0078 0.0135 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0074 0.5456
Onchocerca volvulus Protein ultraspiracle homolog 0.0142 0.0279 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0079 0.0139 0.1023
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0034 0.0034
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.005 0.3736
Onchocerca volvulus 0.0034 0.0037 0.0296
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0142 0.0279 0.1887
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0067 0.0111 0.0111
Loa Loa (eye worm) nuclear hormone receptor 0.0067 0.0111 0.081
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0037 0.1484
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0074 0.5456
Brugia malayi nuclear receptor NHR-88 0.0067 0.0111 0.0748
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0027 0.2023
Brugia malayi tailless protein 0.0067 0.0111 0.0748
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0142 0.0279 0.1887
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0049 0.0069 0.2759
Echinococcus multilocularis lamin 0.0031 0.003 0.003
Brugia malayi chromobox protein homolog 3 0.0044 0.0058 0.0393
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0057 0.4227
Echinococcus granulosus thyroid hormone receptor alpha 0.0067 0.0111 0.0111
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0036 0.0042 0.6022
Echinococcus granulosus Nuclear hormone receptor HR96 0.0067 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.0031 0.003 0.0199
Onchocerca volvulus 0.0142 0.0279 1
Loa Loa (eye worm) phosphatidylinositol 3 0.005 0.0074 0.0531
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0138 0.0272 0.2023
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0028 0.2073
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0069 0.9243
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0083 0.0083
Brugia malayi nuclear receptor NHR-88 0.0142 0.0279 0.1887
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0027 0.2023
Schistosoma mansoni hypothetical protein 0.0033 0.0034 0.0034
Mycobacterium tuberculosis Probable reductase 0.0116 0.0223 0.8837
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0069 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0142 0.0279 0.2081
Brugia malayi PHD-finger family protein 0.0028 0.0023 0.0156
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0116 0.0223 0.8837
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0142 0.0279 0.1887
Loa Loa (eye worm) hypothetical protein 0.0049 0.0069 0.05
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0045 0.3302
Schistosoma mansoni nuclear hormone receptor 0.0067 0.0111 0.0111
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0142 0.0279 0.0279
Loa Loa (eye worm) nuclear receptor NHR-67 0.0067 0.0111 0.081
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0051 0.0051
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0142 0.0279 0.0279
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0045 0.5934
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0142 0.0279 0.2081
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0058 0.1145
Loa Loa (eye worm) hypothetical protein 0.0075 0.0129 0.0946
Loa Loa (eye worm) hypothetical protein 0.0067 0.0111 0.081
Plasmodium falciparum glutathione reductase 0.0051 0.0075 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0083 0.06
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0142 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.0067 0.0111 0.081
Brugia malayi Nuclear hormone receptor-like 1 0.0608 0.1329 0.8983
Schistosoma mansoni thyroid hormone receptor 0.1625 0.362 0.362
Schistosoma mansoni retinoic acid receptor RXR 0.0142 0.0279 0.0279
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.005 0.0074 0.0074
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0003 0.0003
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.003 0.0199
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0045 0.3302
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0036 0.0042 0.0291
Brugia malayi nuclear receptor RXR 0.0067 0.0111 0.0748
Loa Loa (eye worm) hypothetical protein 0.0067 0.0111 0.081
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.0045 0.0301
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.0111 0.0111
Schistosoma mansoni hypothetical protein 0.0033 0.0034 0.0034
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0067 0.0111 0.0111
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0067 0.0111 0.0111
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.1483 0.3301 0.3301
Loa Loa (eye worm) intermediate filament protein 0.0031 0.003 0.0199
Brugia malayi RNA recognition motif domain containing protein 0.0138 0.0272 0.1835
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0036 0.0042 0.1661
Toxoplasma gondii thioredoxin reductase 0.0051 0.0075 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.005 0.3736
Loa Loa (eye worm) hypothetical protein 0.0043 0.0057 0.0406
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0142 0.0279 0.0279
Brugia malayi Nuclear hormone receptor-like 1 0.0608 0.1329 0.8983
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0021 0.1582
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0021 0.1589
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0142 0.0279 0.0279
Echinococcus multilocularis FTZ F1 alpha 0.0142 0.0279 0.0279
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.005 0.0074 0.9804
Echinococcus granulosus ecdysone induced protein 78C 0.0142 0.0279 0.0279
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0129 0.0252 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0003 0.0003
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.005 0.0074 1
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0069 0.047
Onchocerca volvulus 0.0067 0.0111 0.3246
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0142 0.0279 0.2081
Loa Loa (eye worm) hypothetical protein 0.0142 0.0279 0.2081
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0142 0.0279 0.0279
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0045 0.0045
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0075 0.0129 0.0129
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0069 0.047
Brugia malayi Heterochromatin protein 1 0.0078 0.0135 0.0913
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0028 0.2073
Echinococcus granulosus tar DNA binding protein 0.0138 0.0272 0.0272
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0045 0.5934
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0005 0.0012
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0116 0.0223 0.8837
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.0075 0.0075
Echinococcus multilocularis chromobox protein 1 0.0078 0.0135 0.0135
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.005 0.0074 0.9804
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0116 0.0223 0.8394
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0034 0.0232
Schistosoma mansoni hypothetical protein 0.0071 0.0121 0.0121
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0142 0.0279 0.0279
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0021 0.1589
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0049 0.0069 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0142 0.0279 0.0279
Schistosoma mansoni lamin 0.0031 0.003 0.003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0045 0.3302
Loa Loa (eye worm) hypothetical protein 0.0067 0.0111 0.081
Trypanosoma brucei trypanothione reductase 0.0051 0.0075 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0067 0.0111 0.0748
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0142 0.0279 0.2081
Echinococcus granulosus zinc finger protein 0.0022 0.001 0.001
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0142 0.0279 0.2081
Loa Loa (eye worm) hypothetical protein 0.0142 0.0279 0.2081
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.005 0.0074 0.9804
Schistosoma mansoni microtubule-associated protein tau 0.4457 1 1
Plasmodium vivax glutathione reductase, putative 0.0051 0.0075 1
Schistosoma mansoni tar DNA-binding protein 0.0138 0.0272 0.0272
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0021 0.1589
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0021 0.1589
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0034 0.0232
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0142 0.0279 0.0279
Schistosoma mansoni nuclear hormone receptor 0.0142 0.0279 0.0279
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0045 0.3302
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0045 0.3302
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0116 0.0223 0.8837
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0045 0.0045
Loa Loa (eye worm) heterochromatin protein 1 0.0078 0.0135 0.0994
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0142 0.0279 0.1887
Loa Loa (eye worm) hypothetical protein 0.0071 0.0121 0.0885
Loa Loa (eye worm) hypothetical protein 0.06 0.1311 0.9864
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.0075 0.2985
Giardia lamblia GTOR 0.005 0.0074 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0034 0.0235
Trypanosoma cruzi target of rapamycin kinase 3 0.004 0.0051 0.6725
Brugia malayi ecdysone receptor 0.0067 0.0111 0.0748
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0066 0.1443
Loa Loa (eye worm) hypothetical protein 0.0036 0.0042 0.0291
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.0075 0.0543
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0003 0.0003
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.003 0.2189
Schistosoma mansoni coup transcription factor 0.0142 0.0279 0.0279
Mycobacterium ulcerans hypothetical protein 0.0049 0.0069 1
Schistosoma mansoni lamin 0.0031 0.003 0.003
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0075 0.0129 0.0129
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0142 0.0279 0.1887
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0142 0.0279 0.2081
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0017 0.0017
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0045 0.3303
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0049 0.0069 0.2759
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.0195 0.1316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0045 0.3302
Echinococcus multilocularis nuclear receptor nhr 48 0.0067 0.0111 0.0111
Echinococcus granulosus chromobox protein 1 0.0078 0.0135 0.0135
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0067 0.0111 0.0111
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0142 0.0279 0.0279
Brugia malayi Bromodomain containing protein 0.0043 0.0057 0.0385
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.005 0.0074 0.9804
Plasmodium vivax acyl-CoA synthetase, putative 0.0036 0.0042 0.5566
Brugia malayi hypothetical protein 0.0067 0.0111 0.0748
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0003 0.0003
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0066 0.486
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0142 0.0279 0.0279
Schistosoma mansoni nuclear hormone receptor 0.0067 0.0111 0.0111
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0024 0.0014 0.1841
Echinococcus multilocularis microtubule associated protein 2 0.4457 1 1
Echinococcus granulosus chromobox protein 1 0.0078 0.0135 0.0135
Brugia malayi Thioredoxin reductase 0.0051 0.0075 0.0508
Entamoeba histolytica acyl-CoA synthetase, putative 0.0049 0.0069 0.8551
Echinococcus multilocularis GPCR, family 2 0.0033 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0049 0.0069 0.05
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0069 0.9243
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0037 0.1484
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0142 0.0279 0.0279
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0075 0.0129 0.0129
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.0045 0.0045
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0067 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.0036 0.0042 0.0291
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.0195 0.1316
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0069 0.047
Loa Loa (eye worm) hypothetical protein 0.0038 0.0045 0.0312
Echinococcus granulosus nuclear receptor nhr 48 0.0067 0.0111 0.0111
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.0075 0.0075
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0049 0.0069 1
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.003 0.02
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0045 0.5934
Brugia malayi nuclear receptor RXR 0.0075 0.0129 0.087
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0142 0.0279 0.1887
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.0195 0.1444
Echinococcus multilocularis chromobox protein 1 0.0078 0.0135 0.0135
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0067 0.0111 0.0111
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0142 0.0279 0.0279
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0045 0.3303
Loa Loa (eye worm) hypothetical protein 0.0044 0.0058 0.0415
Loa Loa (eye worm) hypothetical protein 0.0067 0.0111 0.081
Brugia malayi hypothetical protein 0.0067 0.0111 0.0748
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0037 0.1484
Brugia malayi RNA binding protein 0.0138 0.0272 0.1835
Brugia malayi Bromodomain containing protein 0.0084 0.015 0.1011
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0129 0.0252 1
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0045 0.0045
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0036 0.0042 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0067 0.0111 0.0111
Echinococcus granulosus tumor protein p63 0.0372 0.0798 0.0798
Loa Loa (eye worm) hypothetical protein 0.0034 0.0037 0.0255
Loa Loa (eye worm) glutathione reductase 0.0051 0.0075 0.0543
Loa Loa (eye worm) hypothetical protein 0.0142 0.0279 0.2081
Brugia malayi nuclear hormone receptor 0.0067 0.0111 0.0748
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.0111 0.0111
Schistosoma mansoni hypothetical protein 0.1483 0.3301 0.3301
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0142 0.0279 0.0279
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.005 0.0074 0.0498
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0142 0.0279 0.1887
Brugia malayi orphan nuclear receptor NR2E1 0.0067 0.0111 0.0748
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.005 0.0074 0.0074
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0608 0.1329 1
Schistosoma mansoni RAR-like nuclear receptor 0.0142 0.0279 0.0279
Schistosoma mansoni nuclear receptor nhr-48 0.0067 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.0142 0.0279 0.2081
Loa Loa (eye worm) hypothetical protein 0.0067 0.0111 0.081
Brugia malayi TAR-binding protein 0.0138 0.0272 0.1835
Brugia malayi conserved hypotetical protein 0.0067 0.0111 0.0748
Echinococcus multilocularis thyroid hormone receptor alpha 0.1625 0.362 0.362
Loa Loa (eye worm) hypothetical protein 0.0075 0.0129 0.0946
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0034 0.0034
Brugia malayi Nuclear hormone receptor E75 0.0067 0.0111 0.0748
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0017 0.0017
Schistosoma mansoni zinc finger protein 0.0067 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.0142 0.0279 0.2081
Brugia malayi Nuclear hormone receptor E75 0.0067 0.0111 0.0748
Loa Loa (eye worm) hypothetical protein 0.0067 0.0111 0.081
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0038 0.0045 0.5934
Onchocerca volvulus 0.0067 0.0111 0.3246
Echinococcus granulosus Nuclear hormone receptor HR96 0.0067 0.0111 0.0111
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0142 0.0279 0.1887
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0142 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.0142 0.0279 0.2081
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.0075 0.0129 0.0946
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.005 0.3736
Schistosoma mansoni chromobox protein 0.0078 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.0075 0.0129 0.0946
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0045 0.3302
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0142 0.0279 0.1887
Echinococcus multilocularis musashi 0.0031 0.003 0.003
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0049 0.0069 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.005 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0104 0.0195 0.1444
Loa Loa (eye worm) hypothetical protein 0.0075 0.0129 0.0946
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0142 0.0279 0.1887
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0142 0.0279 0.2081
Echinococcus granulosus intermediate filament protein 0.0031 0.003 0.003
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.005 0.3736
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0142 0.0279 0.0279
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0034 0.0235
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0066 0.486
Brugia malayi Steroid receptor seven-up type 2 0.0142 0.0279 0.1887
Brugia malayi hypothetical protein 0.0075 0.0129 0.087
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0021 0.1582
Schistosoma mansoni hypothetical protein 0.0033 0.0034 0.0034
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0036 0.2688
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0142 0.0279 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.0045 0.0045
Loa Loa (eye worm) hypothetical protein 0.0036 0.0042 0.0291
Echinococcus multilocularis zinc finger protein 0.0022 0.001 0.001
Schistosoma mansoni tar DNA-binding protein 0.0138 0.0272 0.0272
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0049 0.0069 1
Schistosoma mansoni thyroid hormone receptor 0.1625 0.362 0.362
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.005 0.0074 0.9804
Schistosoma mansoni tar DNA-binding protein 0.0138 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0046 0.0063 0.0451
Loa Loa (eye worm) steroid hormone receptor 0.0142 0.0279 0.2081
Schistosoma mansoni zinc finger protein 0.0022 0.001 0.001
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0142 0.0279 0.0279
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0058 0.4309
Mycobacterium tuberculosis Probable oxidoreductase 0.0129 0.0252 1
Schistosoma mansoni tar DNA-binding protein 0.0138 0.0272 0.0272
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0116 0.0223 0.8837
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0034 0.2507
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0067 0.0111 0.0748
Entamoeba histolytica acyl-coA synthetase, putative 0.0049 0.0069 0.8551
Onchocerca volvulus 0.0054 0.0083 0.2131
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0017 0.0017
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0067 0.0111 0.0111
Schistosoma mansoni steroid hormone receptor ad4bp 0.0142 0.0279 0.0279
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0069 0.9243
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.005 0.0074 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0142 0.0279 0.0279
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0045 0.3303
Echinococcus multilocularis tar DNA binding protein 0.0138 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0048 0.0068 0.0488
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0067 0.0111 0.3246
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0038 0.0045 0.6053
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0019 0.0003 0.0003
Brugia malayi nuclear receptor NHR-67 0.0067 0.0111 0.0748
Loa Loa (eye worm) hypothetical protein 0.0142 0.0279 0.2081
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0034 0.0034
Brugia malayi nuclear hormone receptor family member nhr-6 0.0067 0.0111 0.0748
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0142 0.0279 0.1887
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0003 0.0003
Loa Loa (eye worm) hypothetical protein 0.0067 0.0111 0.081
Brugia malayi glutathione reductase 0.0051 0.0075 0.0508
Loa Loa (eye worm) hypothetical protein 0.0067 0.0111 0.081
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.005 0.3736
Loa Loa (eye worm) TAR-binding protein 0.0138 0.0272 0.2023
Schistosoma mansoni hypothetical protein 0.0023 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0049 0.0069 0.05
Loa Loa (eye worm) hypothetical protein 0.0067 0.0111 0.081
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0012 0.0068
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0121 0.0814
Schistosoma mansoni nuclear receptor 0.0067 0.0111 0.0111
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0129 0.0252 1
Echinococcus multilocularis tumor protein p63 0.0372 0.0798 0.0798
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.0075 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0034 0.0034
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0045 0.0045
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0067 0.0111 0.3246
Loa Loa (eye worm) hypothetical protein 0.0067 0.0111 0.081
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0142 0.0279 0.2081
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0142 0.0279 0.0279
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.004 0.0051 0.6725
Treponema pallidum NADH oxidase 0.0018 0 0.5
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.1483 0.3301 0.3301
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0142 0.0279 0.1887
Leishmania major trypanothione reductase 0.0051 0.0075 1
Onchocerca volvulus Bile acid receptor homolog 0.0142 0.0279 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0675 0.148 1
Echinococcus granulosus FTZ F1 alpha 0.0142 0.0279 0.0279
Schistosoma mansoni nuclear receptor 0.0067 0.0111 0.0111
Entamoeba histolytica acyl-CoA synthetase, putative 0.0049 0.0069 0.8551
Schistosoma mansoni hypothetical protein 0.0033 0.0034 0.0034
Schistosoma mansoni tar DNA-binding protein 0.0138 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0067 0.0111 0.081
Loa Loa (eye worm) hypothetical protein 0.003 0.0028 0.019
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0074 0.5456
Echinococcus multilocularis ecdysone induced protein 78C 0.0142 0.0279 0.0279
Plasmodium falciparum thioredoxin reductase 0.0051 0.0075 1
Schistosoma mansoni chromobox protein 0.0078 0.0135 0.0135
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0142 0.0279 0.1887
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0058 0.4309
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.003 0.2189
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0067 0.0111 0.0111
Brugia malayi intermediate filament protein 0.0031 0.003 0.02
Echinococcus multilocularis lamin dm0 0.0031 0.003 0.003
Trypanosoma brucei target of rapamycin kinase 3, putative 0.004 0.0051 0.6725
Brugia malayi nuclear hormone receptor 0.0142 0.0279 0.1887

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 0.96 % 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) = 1.43 % 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) = 1.99 % 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) = 3 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 30 % 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) = 47 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 96 % 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) = 3.57 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 3 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 30 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 47 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 96 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.07 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.86049 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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