Detailed information for compound 601812

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 332.184 | Formula: C16H11Cl2N3O
  • H donors: 2 H acceptors: 2 LogP: 4.01 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccnc2c1cccc2)Nc1cccc(c1Cl)Cl
  • InChi: 1S/C16H11Cl2N3O/c17-11-5-3-7-14(15(11)18)21-16(22)20-13-8-9-19-12-6-2-1-4-10(12)13/h1-9H,(H2,19,20,21,22)
  • InChiKey: AOIWIKKJJKTSIG-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
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0196 0.1445 0.1429
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0036 0.0067
Plasmodium vivax importin-beta 2, putative 0.0064 0.0375 0.2498
Brugia malayi Importin beta-1 subunit 0.0064 0.0375 0.1917
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0058 0.0329 0.0611
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0036 0.0067
Trichomonas vaginalis esterase, putative 0.0196 0.1445 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0036 0.0184
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0047 0.0238 0.154
Loa Loa (eye worm) hypothetical protein 0.0196 0.1445 0.2684
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.0197 0.2459
Brugia malayi nuclear receptor NHR-88 0.0022 0.0036 0.0184
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0036 0.0067
Entamoeba histolytica hypothetical protein 0.0039 0.017 0.2088
Echinococcus granulosus importin subunit beta 1 0.0064 0.0375 0.0696
Onchocerca volvulus 0.0051 0.0272 0.1673
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0285 0.1459
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0036 0.0067
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0285 0.053
Brugia malayi PHD-finger family protein 0.0032 0.0119 0.0609
Onchocerca volvulus 0.0196 0.1445 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0112 0.0759 0.141
Trichomonas vaginalis CAMK family protein kinase 0.011 0.0743 0.5082
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.0676 0.1255
Schistosoma mansoni coup transcription factor 0.0022 0.0036 0.0067
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0196 0.1445 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0018 0.5
Onchocerca volvulus 0.0196 0.1445 1
Schistosoma mansoni ap endonuclease 0.002 0.0018 0.0034
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0047 0.0238 0.154
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.0676 0.1255
Mycobacterium ulcerans hypothetical protein 0.0196 0.1445 1
Entamoeba histolytica Ran family GTPase 0.0047 0.0238 0.3029
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0036 0.0067
Echinococcus granulosus histone acetyltransferase KAT2B 0.0151 0.1082 0.2009
Loa Loa (eye worm) hypothetical protein 0.0196 0.1445 0.2684
Echinococcus granulosus FTZ F1 alpha 0.0443 0.3441 0.6393
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.017 0.0315
Loa Loa (eye worm) transcription factor SMAD2 0.0259 0.1955 0.3631
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0047 0.0238 0.154
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0196 0.1445 0.1429
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0119 0.0221
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0119 0.0221
Leishmania major hypothetical protein, conserved 0.0196 0.1445 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0036 0.0184
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0051 0.0272 0.0505
Loa Loa (eye worm) hypothetical protein 0.0058 0.0329 0.0611
Loa Loa (eye worm) hypothetical protein 0.0022 0.0036 0.0067
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0047 0.0238 0.154
Loa Loa (eye worm) hypothetical protein 0.0022 0.0036 0.0067
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0036 0.0067
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.017 0.0315
Entamoeba histolytica hypothetical protein 0.0039 0.017 0.2088
Trichomonas vaginalis penicillin-binding protein, putative 0.0196 0.1445 1
Mycobacterium ulcerans esterase/lipase LipP 0.0196 0.1445 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.0174 0.0323
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0036 0.0067
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.0676 0.1255
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0272 0.0505
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0036 0.0067
Trypanosoma cruzi polo-like protein kinase, putative 0.011 0.0743 0.5082
Plasmodium falciparum phd finger protein, putative 0.0032 0.0119 0.2822
Mycobacterium tuberculosis Probable lipase LipE 0.0196 0.1445 0.1429
Echinococcus granulosus histone acetyltransferase MYST2 0.0058 0.0329 0.0611
Schistosoma mansoni serine/threonine protein kinase 0.011 0.0743 0.1381
Mycobacterium tuberculosis Probable hydrolase 0.0196 0.1445 0.1429
Onchocerca volvulus 0.0196 0.1445 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.0228 0.1466
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0058 0.0329 0.0611
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0119 0.0705
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0101 0.0676 0.1255
Entamoeba histolytica hypothetical protein 0.0052 0.0277 0.3564
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0036 0.0067
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.0676 0.1255
Echinococcus multilocularis importin subunit beta 1 0.0064 0.0375 0.0696
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0036 0.0184
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0018 0.0094
Trichomonas vaginalis CAMK family protein kinase 0.011 0.0743 0.5082
Trypanosoma cruzi polo-like protein kinase, putative 0.011 0.0743 0.5082
Schistosoma mansoni hypothetical protein 0.0357 0.2747 0.5104
Echinococcus multilocularis SAM and MBT domain containing protein 0.0051 0.0272 0.0505
Echinococcus multilocularis polycomb protein SCMH1 0.0051 0.0272 0.0505
Echinococcus granulosus peregrin 0.0036 0.015 0.0278
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.0197 0.5003
Echinococcus granulosus SAM and MBT domain containing protein 0.0051 0.0272 0.0505
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0018 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0174 0.0323
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0106 0.0715 0.1328
Loa Loa (eye worm) hypothetical protein 0.0112 0.0759 0.141
Mycobacterium tuberculosis Probable lipase LipD 0.0196 0.1445 0.1429
Loa Loa (eye worm) acetyltransferase 0.0156 0.1117 0.2075
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0036 0.0184
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0036 0.0184
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0036 0.0067
Loa Loa (eye worm) hypothetical protein 0.0022 0.0036 0.0067
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0036 0.0067
Schistosoma mansoni hypothetical protein 0.0316 0.241 0.4477
Mycobacterium tuberculosis Conserved protein 0.0196 0.1445 0.1429
Echinococcus granulosus beta LACTamase domain containing family member 0.0196 0.1445 0.2684
Toxoplasma gondii HEAT repeat-containing protein 0.0064 0.0375 0.2498
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0101 0.0676 0.1255
Echinococcus multilocularis peregrin 0.0036 0.015 0.0278
Brugia malayi MH2 domain containing protein 0.0259 0.1955 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0285 0.053
Loa Loa (eye worm) beta-lactamase 0.0196 0.1445 0.2684
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0112 0.0759 0.141
Brugia malayi ecdysteroid receptor 0.0022 0.0036 0.0184
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0196 0.1445 0.2684
Loa Loa (eye worm) hypothetical protein 0.0022 0.0036 0.0067
Loa Loa (eye worm) mbt repeat family protein 0.0051 0.0272 0.0505
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0036 0.0067
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0036 0.0067
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0119 0.0221
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0196 0.1445 0.1429
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0156 0.1117 0.2075
Schistosoma mansoni hypothetical protein 0.0039 0.017 0.0315
Loa Loa (eye worm) hypothetical protein 0.0036 0.015 0.0278
Trichomonas vaginalis importin beta-1, putative 0.0052 0.0277 0.1811
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0036 0.0067
Trichomonas vaginalis D-aminoacylase, putative 0.0196 0.1445 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.011 0.0743 0.1381
Mycobacterium tuberculosis Conserved protein 0.0196 0.1445 0.1429
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0036 0.0067
Echinococcus multilocularis snurportin 1 0.0683 0.5383 1
Trichomonas vaginalis CAMK family protein kinase 0.011 0.0743 0.5082
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0119 0.0221
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0101 0.0676 0.3457
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0174 0.0323
Trichomonas vaginalis CAMK family protein kinase 0.0054 0.0296 0.1945
Leishmania major importin beta-1 subunit, putative 0.0052 0.0277 0.1811
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0036 0.0067
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0036 0.0184
Loa Loa (eye worm) hypothetical protein 0.0064 0.0375 0.0696
Loa Loa (eye worm) hypothetical protein 0.0022 0.0036 0.0067
Echinococcus granulosus snurportin 1 0.0683 0.5383 1
Brugia malayi Bromodomain containing protein 0.0036 0.015 0.0767
Loa Loa (eye worm) hypothetical protein 0.0196 0.1445 0.2684
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0036 0.0067
Trypanosoma brucei importin beta-1 subunit, putative 0.0064 0.0375 0.2498
Schistosoma mansoni hypothetical protein 0.0089 0.058 0.1078
Trichomonas vaginalis D-aminoacylase, putative 0.0196 0.1445 1
Trichomonas vaginalis CAMK family protein kinase 0.0054 0.0296 0.1945
Entamoeba histolytica hypothetical protein 0.0039 0.017 0.2088
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0196 0.1445 0.2684
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0036 0.0067
Giardia lamblia PHD finger protein 15 0.0032 0.0119 0.1387
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0018 0.0034
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.0398 0.0739
Loa Loa (eye worm) hypothetical protein 0.0022 0.0036 0.0067
Schistosoma mansoni ran 0.0047 0.0238 0.0442
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0285 0.1459
Brugia malayi RNA, U transporter 1 0.0182 0.1329 0.6799
Echinococcus multilocularis FTZ F1 alpha 0.0112 0.0759 0.141
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0036 0.0067
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0036 0.0067
Echinococcus granulosus jumonji domain containing protein 0.0045 0.0222 0.0412
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0174 0.0323
Loa Loa (eye worm) hypothetical protein 0.0196 0.1445 0.2684
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0036 0.0067
Plasmodium falciparum importin beta, putative 0.0064 0.0375 1
Mycobacterium leprae conserved hypothetical protein 0.0196 0.1445 0.5
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0046 0.0228 0.1466
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0174 0.0323
Echinococcus multilocularis jumonji domain containing protein 0.0045 0.0222 0.0412
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0047 0.0238 0.0442
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.0228 0.1466
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.011 0.0743 0.5082
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0156 0.1117 0.2075
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.0228 0.0423
Echinococcus granulosus GTP binding nuclear protein Ran 0.0047 0.0238 0.0442
Loa Loa (eye worm) hypothetical protein 0.0055 0.0306 0.0569
Trichomonas vaginalis bromodomain-containing protein, putative 0.0046 0.0228 0.1466
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0683 0.5383 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0196 0.1445 0.7391
Trichomonas vaginalis D-aminoacylase, putative 0.0196 0.1445 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0058 0.0329 0.0611
Schistosoma mansoni jumonji domain containing protein 0.0084 0.0539 0.1001
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0036 0.0067
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0036 0.0067
Trichomonas vaginalis CAMK family protein kinase 0.011 0.0743 0.5082
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0036 0.0067
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0058 0.0329 0.1684
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0036 0.0184
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0036 0.0184
Entamoeba histolytica serine/threonine protein kinase, putative 0.011 0.0743 1
Brugia malayi beta-lactamase 0.0196 0.1445 0.7391
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.011 0.0743 0.1381
Toxoplasma gondii ABC1 family protein 0.0196 0.1445 1
Schistosoma mansoni kinase 0.0056 0.0307 0.0571
Echinococcus multilocularis histone acetyltransferase MYST2 0.0058 0.0329 0.0611
Brugia malayi jmjC domain containing protein 0.0106 0.0715 0.3657
Trichomonas vaginalis CAMK family protein kinase 0.011 0.0743 0.5082
Schistosoma mansoni importin beta-1 0.0064 0.0375 0.0696
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0018 0.0034
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0047 0.0238 0.3029
Brugia malayi mbt repeat family protein 0.0051 0.0272 0.139
Loa Loa (eye worm) hypothetical protein 0.0022 0.0036 0.0067
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0047 0.0238 0.6164
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0196 0.1445 0.2684
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0036 0.0067
Trichomonas vaginalis ran, putative 0.0047 0.0238 0.154
Entamoeba histolytica hypothetical protein 0.0039 0.017 0.2088
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0112 0.0759 0.3884
Loa Loa (eye worm) hypothetical protein 0.0196 0.1445 0.2684
Loa Loa (eye worm) MH2 domain-containing protein 0.0259 0.1955 0.3631
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0206 0.1523 0.283
Brugia malayi jmjC domain containing protein 0.0039 0.0174 0.0891
Echinococcus granulosus geminin 0.0357 0.2747 0.5104
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0112 0.0759 0.141
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0036 0.0067
Brugia malayi hypothetical protein 0.0039 0.017 0.0869
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0052 0.0277 0.1811
Mycobacterium tuberculosis Conserved protein 0.0196 0.1445 0.1429
Schistosoma mansoni hypothetical protein 0.0036 0.015 0.0278
Brugia malayi beta-lactamase family protein 0.0196 0.1445 0.7391
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0036 0.0067
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0052 0.0277 0.1811
Giardia lamblia Kinase, PLK 0.011 0.0743 1
Plasmodium vivax hypothetical protein, conserved 0.0196 0.1445 1
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0036 0.0067
Loa Loa (eye worm) hypothetical protein 0.0051 0.0272 0.0505
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0101 0.0676 0.1255
Trypanosoma brucei polo-like protein kinase 0.011 0.0743 0.5082
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.015 0.0766
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0036 0.0184
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.0228 0.1466
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0272 0.0505
Onchocerca volvulus Serine\/threonine kinase homolog 0.011 0.0743 0.5021
Schistosoma mansoni ap endonuclease 0.002 0.0018 0.0034
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0047 0.0238 0.1218
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0036 0.0067
Trypanosoma cruzi hypothetical protein, conserved 0.0196 0.1445 1
Schistosoma mansoni ran 0.0047 0.0238 0.0442
Loa Loa (eye worm) MBCTL1 0.0058 0.0329 0.0611
Trichomonas vaginalis penicillin-binding protein, putative 0.0196 0.1445 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0018 0.0034
Mycobacterium leprae Probable lipase LipE 0.0196 0.1445 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0036 0.0184
Brugia malayi steroid hormone receptor 0.0022 0.0036 0.0184
Brugia malayi serine/threonine-protein kinase plk-2 0.011 0.0743 0.3803
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0106 0.0715 0.1328
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0036 0.0184
Mycobacterium tuberculosis Probable esterase LipL 0.0196 0.1445 0.1429
Brugia malayi acetyltransferase, GNAT family protein 0.0156 0.1117 0.5714
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0119 0.0705
Schistosoma mansoni hypothetical protein 0.0683 0.5383 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0036 0.0067
Trichomonas vaginalis CAMK family protein kinase 0.011 0.0743 0.5082
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.011 0.0743 0.1381
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0036 0.0184
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0051 0.0272 0.1673
Brugia malayi beta-lactamase family protein 0.0196 0.1445 0.7391
Onchocerca volvulus Alhambra homolog 0.0032 0.0119 0.0589
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.017 0.0315
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0112 0.0759 0.3884
Schistosoma mansoni hypothetical protein 0.0357 0.2747 0.5104
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0047 0.0238 0.0442
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0036 0.0184
Mycobacterium ulcerans lipase LipD 0.0196 0.1445 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0036 0.0067
Echinococcus multilocularis beta LACTamase domain containing family member 0.0196 0.1445 0.2684
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0036 0.0067
Trypanosoma brucei hypothetical protein, conserved 0.0196 0.1445 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0064 0.0375 0.2498
Schistosoma mansoni hypothetical protein 0.0032 0.0119 0.0221
Echinococcus granulosus polycomb protein SCMH1 0.0051 0.0272 0.0505
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0036 0.0184
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0101 0.0676 0.1255
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.0197 0.2459
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0206 0.1523 0.283
Trypanosoma cruzi importin beta-1 subunit, putative 0.0052 0.0277 0.1811
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0047 0.0238 0.154
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0119 0.0705
Trichomonas vaginalis CAMK family protein kinase 0.011 0.0743 0.5082
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0036 0.0067
Brugia malayi nuclear hormone receptor 0.0022 0.0036 0.0184
Mycobacterium ulcerans beta-lactamase 0.0196 0.1445 1
Loa Loa (eye worm) hypothetical protein 0.0196 0.1445 0.2684
Echinococcus multilocularis geminin 0.0357 0.2747 0.5104
Loa Loa (eye worm) hypothetical protein 0.0032 0.0119 0.0221
Trypanosoma cruzi hypothetical protein, conserved 0.0196 0.1445 1
Brugia malayi mbt repeat family protein 0.0051 0.0272 0.139
Leishmania major GTP-binding protein, putative 0.0047 0.0238 0.154

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 4 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 5.95 % 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) = 7.42 % 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) = 7.59 % 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) = 31 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 47 % 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) = 5.76 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) = 31 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 47 % 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) = 6.13 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.74502 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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