Detailed information for compound 601748

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 513.048 | Formula: C27H29ClN2O4S
  • H donors: 0 H acceptors: 3 LogP: 6.17 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN(CCCOC(=O)c1cc2c(n1S(=O)(=O)Cc1ccccc1)ccc(c2)c1ccccc1)C.Cl
  • InChi: 1S/C27H28N2O4S.ClH/c1-28(2)16-9-17-33-27(30)26-19-24-18-23(22-12-7-4-8-13-22)14-15-25(24)29(26)34(31,32)20-21-10-5-3-6-11-21;/h3-8,10-15,18-19H,9,16-17,20H2,1-2H3;1H
  • InChiKey: CCDKMRJLTLVKNT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 multilocularis SAM and MBT domain containing protein 0.0048 0.0269 0.0483
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0046 0.0251 0.1633
Loa Loa (eye worm) hypothetical protein 0.0022 0.0042 0.0076
Brugia malayi jmjC domain containing protein 0.01 0.0707 0.3618
Brugia malayi Importin beta-1 subunit 0.0063 0.0392 0.2005
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.0771 0.5277
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0017 0.0031
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0195 0.151 0.2715
Brugia malayi hypothetical protein 0.0038 0.018 0.0924
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0042 0.0076
Echinococcus granulosus geminin 0.0345 0.2789 0.5014
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.011 0.0789 0.1419
Entamoeba histolytica hypothetical protein 0.0051 0.0291 0.3626
Brugia malayi jmjC domain containing protein 0.0037 0.0171 0.0876
Mycobacterium tuberculosis Conserved protein 0.0187 0.1445 0.143
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0152 0.078
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0046 0.0251 0.3095
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0042 0.0076
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0187 0.1445 0.2598
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0046 0.0251 0.623
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0171 0.0308
Brugia malayi Nuclear hormone receptor family member nhr-25 0.011 0.0789 0.4041
Loa Loa (eye worm) hypothetical protein 0.0187 0.1445 0.2598
Loa Loa (eye worm) MH2 domain-containing protein 0.0247 0.1953 0.3511
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0108 0.0771 0.5277
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.024 0.156
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0153 0.1159 0.2084
Schistosoma mansoni ran 0.0046 0.0251 0.045
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.0309 0.2046
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0672 0.5562 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.024 0.156
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.018 0.0324
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0046 0.0251 0.045
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0218 0.0392
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.024 0.0432
Loa Loa (eye worm) hypothetical protein 0.0055 0.0325 0.0585
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0042 0.0216
Brugia malayi beta-lactamase 0.0187 0.1445 0.7399
Entamoeba histolytica serine/threonine protein kinase, putative 0.0108 0.0771 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0042 0.0216
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0108 0.0771 0.1386
Toxoplasma gondii ABC1 family protein 0.0187 0.1445 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0325 0.1667
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0325 0.0585
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0187 0.1445 0.7399
Trichomonas vaginalis D-aminoacylase, putative 0.0187 0.1445 1
Loa Loa (eye worm) MBCTL1 0.0055 0.0325 0.0585
Schistosoma mansoni jumonji domain containing protein 0.0079 0.0532 0.0957
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0042 0.0076
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0042 0.0076
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.0771 0.5277
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0042 0.0076
Trypanosoma cruzi importin beta-1 subunit, putative 0.0051 0.0291 0.1914
Brugia malayi RNA, U transporter 1 0.0179 0.1377 0.7051
Echinococcus multilocularis FTZ F1 alpha 0.011 0.0789 0.1419
Loa Loa (eye worm) hypothetical protein 0.0063 0.0392 0.0704
Loa Loa (eye worm) hypothetical protein 0.0022 0.0042 0.0076
Schistosoma mansoni ran 0.0046 0.0251 0.045
Echinococcus multilocularis importin subunit beta 1 0.0063 0.0392 0.0704
Mycobacterium leprae conserved hypothetical protein 0.0187 0.1445 0.5
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.024 0.156
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0042 0.0076
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0042 0.0076
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0218 0.0392
Loa Loa (eye worm) hypothetical protein 0.0187 0.1445 0.2598
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.018 0.0324
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0042 0.0076
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0042 0.0216
Echinococcus granulosus snurportin 1 0.0672 0.5562 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0042 0.0076
Trypanosoma brucei importin beta-1 subunit, putative 0.0063 0.0392 0.2622
Echinococcus multilocularis peregrin 0.0034 0.0148 0.0267
Loa Loa (eye worm) hypothetical protein 0.0187 0.1445 0.2598
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0042 0.0076
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.0685 0.3508
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.018 0.0324
Loa Loa (eye worm) hypothetical protein 0.0052 0.0302 0.0543
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0289 0.1479
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0042 0.0076
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0042 0.0076
Giardia lamblia PHD finger protein 15 0.0031 0.0117 0.1316
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0017 0.0031
Plasmodium vivax importin-beta 2, putative 0.0063 0.0392 0.2622
Schistosoma mansoni hypothetical protein 0.0088 0.0604 0.1086
Trichomonas vaginalis D-aminoacylase, putative 0.0187 0.1445 1
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.0309 0.2046
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0171 0.0308
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0187 0.1445 0.2598
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0046 0.0251 0.1633
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0117 0.0695
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.0771 0.5277
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0042 0.0076
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0269 0.0483
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0042 0.0216
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.0685 0.1232
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.0208 0.51
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0195 0.151 0.2715
Trichomonas vaginalis importin beta-1, putative 0.0051 0.0291 0.1914
Loa Loa (eye worm) hypothetical protein 0.0031 0.0117 0.021
Trypanosoma cruzi hypothetical protein, conserved 0.0187 0.1445 1
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0269 0.0483
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0046 0.0251 0.1633
Brugia malayi nuclear hormone receptor 0.0022 0.0042 0.0216
Mycobacterium ulcerans beta-lactamase 0.0187 0.1445 1
Loa Loa (eye worm) hypothetical protein 0.0187 0.1445 0.2598
Echinococcus multilocularis geminin 0.0345 0.2789 0.5014
Brugia malayi beta-lactamase family protein 0.0187 0.1445 0.7399
Onchocerca volvulus Alhambra homolog 0.0031 0.0117 0.0531
Entamoeba histolytica hypothetical protein 0.0038 0.018 0.2164
Brugia malayi Nuclear hormone receptor family member nhr-25 0.011 0.0789 0.4041
Schistosoma mansoni hypothetical protein 0.0345 0.2789 0.5014
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0108 0.0771 0.1386
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0042 0.0216
Onchocerca volvulus 0.0048 0.0269 0.1614
Echinococcus multilocularis beta LACTamase domain containing family member 0.0187 0.1445 0.2598
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0042 0.0076
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0042 0.0076
Plasmodium falciparum importin beta, putative 0.0063 0.0392 1
Trypanosoma brucei hypothetical protein, conserved 0.0187 0.1445 1
Schistosoma mansoni hypothetical protein 0.0031 0.0117 0.021
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0046 0.0251 0.045
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0042 0.0216
Mycobacterium ulcerans lipase LipD 0.0187 0.1445 1
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0042 0.0216
Schistosoma mansoni kinase 0.0055 0.0321 0.0578
Trichomonas vaginalis penicillin-binding protein, putative 0.0187 0.1445 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0017 0.0031
Mycobacterium leprae Probable lipase LipE 0.0187 0.1445 0.5
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0117 0.0695
Schistosoma mansoni hypothetical protein 0.0672 0.5562 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0042 0.0076
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.0771 0.5277
Brugia malayi steroid hormone receptor 0.0022 0.0042 0.0216
Brugia malayi serine/threonine-protein kinase plk-2 0.0108 0.0771 0.3947
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.01 0.0707 0.127
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0042 0.0216
Mycobacterium tuberculosis Probable esterase LipL 0.0187 0.1445 0.143
Brugia malayi acetyltransferase, GNAT family protein 0.0153 0.1159 0.5937
Brugia malayi mbt repeat family protein 0.0048 0.0269 0.1375
Trypanosoma brucei polo-like protein kinase 0.0108 0.0771 0.5277
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0685 0.1232
Schistosoma mansoni hypothetical protein 0.0035 0.0152 0.0274
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0042 0.0216
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0051 0.0291 0.1914
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0042 0.0076
Brugia malayi beta-lactamase family protein 0.0187 0.1445 0.7399
Giardia lamblia Kinase, PLK 0.0108 0.0771 1
Plasmodium vivax hypothetical protein, conserved 0.0187 0.1445 1
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0042 0.0076
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0046 0.0251 0.1633
Schistosoma mansoni ap endonuclease 0.0019 0.0017 0.0031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0042 0.0076
Trypanosoma cruzi hypothetical protein, conserved 0.0187 0.1445 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0046 0.0251 0.045
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.024 0.156
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0269 0.0483
Onchocerca volvulus Serine\/threonine kinase homolog 0.0108 0.0771 0.5194
Entamoeba histolytica hypothetical protein 0.0038 0.018 0.2164
Entamoeba histolytica hypothetical protein 0.0038 0.018 0.2164
Trichomonas vaginalis penicillin-binding protein, putative 0.0187 0.1445 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0042 0.0076
Leishmania major GTP-binding protein, putative 0.0046 0.0251 0.1633
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0042 0.0076
Loa Loa (eye worm) hypothetical protein 0.0022 0.0042 0.0076
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0269 0.1614
Trypanosoma cruzi polo-like protein kinase, putative 0.0108 0.0771 0.5277
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0042 0.0076
Plasmodium falciparum phd finger protein, putative 0.0031 0.0117 0.2649
Mycobacterium tuberculosis Probable lipase LipE 0.0187 0.1445 0.143
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0171 0.0308
Mycobacterium ulcerans esterase/lipase LipP 0.0187 0.1445 1
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0042 0.0076
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0685 0.1232
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0685 0.1232
Mycobacterium ulcerans hypothetical protein 0.0187 0.1445 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0046 0.0251 0.1633
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0042 0.0076
Echinococcus granulosus histone acetyltransferase KAT2B 0.0149 0.1123 0.2019
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0187 0.1445 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0017 0.5
Onchocerca volvulus 0.0187 0.1445 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0046 0.0251 0.1283
Schistosoma mansoni ap endonuclease 0.0019 0.0017 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0042 0.0216
Leishmania major hypothetical protein, conserved 0.0187 0.1445 1
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0269 0.0483
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0325 0.0585
Loa Loa (eye worm) hypothetical protein 0.0187 0.1445 0.2598
Echinococcus granulosus FTZ F1 alpha 0.0436 0.356 0.64
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0171 0.0308
Entamoeba histolytica Ran family GTPase 0.0046 0.0251 0.3095
Loa Loa (eye worm) transcription factor SMAD2 0.0247 0.1953 0.3511
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0187 0.1445 0.143
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0117 0.021
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0117 0.021
Leishmania major importin beta-1 subunit, putative 0.0051 0.0291 0.1914
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0042 0.0076
Loa Loa (eye worm) hypothetical protein 0.0051 0.0289 0.0519
Brugia malayi PHD-finger family protein 0.0031 0.0117 0.0597
Onchocerca volvulus 0.0187 0.1445 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0042 0.0076
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0171 0.0308
Trypanosoma brucei importin beta-1 subunit, putative 0.0063 0.0392 0.2622
Brugia malayi mbt repeat family protein 0.0048 0.0269 0.1375
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.011 0.0789 0.1419
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.0771 0.5277
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0685 0.1232
Schistosoma mansoni coup transcription factor 0.0022 0.0042 0.0076
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0325 0.0585
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0042 0.0076
Trichomonas vaginalis esterase, putative 0.0187 0.1445 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0187 0.1445 0.143
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0042 0.0076
Schistosoma mansoni importin beta-1 0.0063 0.0392 0.0704
Echinococcus granulosus importin subunit beta 1 0.0063 0.0392 0.0704
Brugia malayi nuclear receptor NHR-88 0.0022 0.0042 0.0216
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0042 0.0216
Trichomonas vaginalis ran, putative 0.0046 0.0251 0.1633
Loa Loa (eye worm) hypothetical protein 0.0187 0.1445 0.2598
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.0208 0.2533
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0042 0.0076
Trichomonas vaginalis D-aminoacylase, putative 0.0187 0.1445 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0108 0.0771 0.1386
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0187 0.1445 0.143
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0153 0.1159 0.2084
Schistosoma mansoni hypothetical protein 0.0038 0.018 0.0324
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0289 0.1479
Echinococcus granulosus peregrin 0.0034 0.0148 0.0267
Echinococcus multilocularis snurportin 1 0.0672 0.5562 1
Mycobacterium tuberculosis Conserved protein 0.0187 0.1445 0.143
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0042 0.0076
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.0771 0.5277
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0117 0.021
Loa Loa (eye worm) beta-lactamase 0.0187 0.1445 0.2598
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.011 0.0789 0.1419
Echinococcus granulosus beta LACTamase domain containing family member 0.0187 0.1445 0.2598
Toxoplasma gondii HEAT repeat-containing protein 0.0063 0.0392 0.2622
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.0685 0.1232
Brugia malayi MH2 domain containing protein 0.0247 0.1953 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0152 0.0274
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0289 0.0519
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0269 0.0483
Loa Loa (eye worm) hypothetical protein 0.0022 0.0042 0.0076
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0042 0.0076
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0042 0.0076
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0117 0.021
Brugia malayi ecdysteroid receptor 0.0022 0.0042 0.0216
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0187 0.1445 0.2598
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.0208 0.2533
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0269 0.0483
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0017 0.5
Entamoeba histolytica hypothetical protein 0.0038 0.018 0.2164
Trypanosoma cruzi polo-like protein kinase, putative 0.0108 0.0771 0.5277
Schistosoma mansoni hypothetical protein 0.0345 0.2789 0.5014
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0269 0.0483
Loa Loa (eye worm) hypothetical protein 0.0048 0.0269 0.0483
Brugia malayi Bromodomain containing protein 0.0034 0.0148 0.076
Loa Loa (eye worm) hypothetical protein 0.0022 0.0042 0.0076
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0042 0.0076
Schistosoma mansoni hypothetical protein 0.0298 0.239 0.4297
Mycobacterium tuberculosis Conserved protein 0.0187 0.1445 0.143
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.01 0.0707 0.127
Loa Loa (eye worm) hypothetical protein 0.011 0.0789 0.1419
Loa Loa (eye worm) acetyltransferase 0.0153 0.1159 0.2084
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0042 0.0216
Mycobacterium tuberculosis Probable lipase LipD 0.0187 0.1445 0.143
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0042 0.0216
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0042 0.0076
Mycobacterium tuberculosis Probable hydrolase 0.0187 0.1445 0.143
Onchocerca volvulus 0.0187 0.1445 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.024 0.156
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0325 0.0585
Schistosoma mansoni serine/threonine protein kinase 0.0108 0.0771 0.1386
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0393 0.0706
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0042 0.0216
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0017 0.0089
Trichomonas vaginalis CAMK family protein kinase 0.0108 0.0771 0.5277
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0325 0.0585
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0117 0.0695
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.0685 0.1232
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0051 0.0291 0.1914
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0042 0.0076
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.0685 0.1232

Activities

Activity type Activity value Assay description Source 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) = 1.19 % 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) = 5.88 % 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) = 10.61 % 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) = 13 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 70 % 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) = 6.99 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = -5 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 13 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 70 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 101 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.44 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.36078 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.

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