Detailed information for compound 601815

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 565.586 | Formula: C30H30F3N5O3
  • H donors: 4 H acceptors: 5 LogP: 6.99 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(F)(F)F.Cc1nc(NCCc2ccccc2)nc(c1)N[C@H](C(=O)Nc1ccccc1)Cc1ccccc1
  • InChi: 1S/C28H29N5O.C2HF3O2/c1-21-19-26(33-28(30-21)29-18-17-22-11-5-2-6-12-22)32-25(20-23-13-7-3-8-14-23)27(34)31-24-15-9-4-10-16-24;3-2(4,5)1(6)7/h2-16,19,25H,17-18,20H2,1H3,(H,31,34)(H2,29,30,32,33);(H,6,7)/t25-;/m0./s1
  • InChiKey: HPUQVXCNTRQVTL-UQIIZPHYSA-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 lysine specific demethylase 5A 0.0038 0.0154 0.0307
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0009 0.0018
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0042 0.0189 0.0375
Loa Loa (eye worm) hypothetical protein 0.0186 0.1422 0.2827
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0095 0.0646 0.1283
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0009 0.0018
Brugia malayi nuclear hormone receptor 0.0021 0.0009 0.0063
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.0314 0.0623
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0255 0.0507
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.0383 0.0762
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0652 0.1296
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0009 0.0018
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0009 0.0063
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0009 0.0018
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0009 0.0018
Trichomonas vaginalis esterase, putative 0.0186 0.1422 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0105 0.0731 0.1454
Brugia malayi Importin beta-1 subunit 0.0057 0.0317 0.2231
Echinococcus granulosus GTP binding nuclear protein Ran 0.0042 0.0189 0.0375
Loa Loa (eye worm) beta-lactamase 0.0186 0.1422 0.2827
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0186 0.1422 0.1422
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0255 0.0507
Loa Loa (eye worm) hypothetical protein 0.0186 0.1422 0.2827
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0131 0.0261
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.0314 0.0623
Schistosoma mansoni ran 0.0042 0.0189 0.0375
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0009 0.0018
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0234 0.1644
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.0646 0.1283
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0186 0.1422 0.2827
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0255 0.0507
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0103 0.0708 0.1407
Brugia malayi beta-lactamase 0.0186 0.1422 1
Onchocerca volvulus Alhambra homolog 0.0031 0.0098 0.063
Brugia malayi MH2 domain containing protein 0.0128 0.0927 0.652
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0042 0.0189 0.1327
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0255 0.0507
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0186 0.1422 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0131 0.0261
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.02 0.1538 0.3057
Trichomonas vaginalis importin beta-1, putative 0.0046 0.0225 0.1583
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0046 0.0225 0.1583
Loa Loa (eye worm) acetyltransferase 0.0142 0.1042 0.2072
Mycobacterium ulcerans lipase LipD 0.0186 0.1422 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0057 0.0317 0.2231
Echinococcus multilocularis snurportin 1 0.0608 0.503 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0105 0.0731 0.1454
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0187 0.1313
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0157 0.2431
Echinococcus granulosus peregrin 0.0035 0.0128 0.0254
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0009 0.0063
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0042 0.0189 0.1327
Schistosoma mansoni coup transcription factor 0.0021 0.0009 0.0018
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0009 0.0018
Plasmodium falciparum phd finger protein, putative 0.0031 0.0098 0.3091
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0255 0.0507
Brugia malayi beta-lactamase family protein 0.0186 0.1422 1
Mycobacterium tuberculosis Probable lipase LipE 0.0186 0.1422 0.1422
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0186 0.1422 0.1422
Loa Loa (eye worm) hypothetical protein 0.0186 0.1422 0.2827
Trypanosoma brucei importin beta-1 subunit, putative 0.0057 0.0317 0.2231
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.0652 0.1296
Entamoeba histolytica serine/threonine protein kinase, putative 0.0095 0.0646 1
Echinococcus multilocularis importin subunit beta 1 0.0057 0.0317 0.0631
Mycobacterium leprae Probable lipase LipE 0.0186 0.1422 0.5
Schistosoma mansoni hypothetical protein 0.0085 0.0553 0.1099
Schistosoma mansoni hypothetical protein 0.034 0.274 0.5448
Trichomonas vaginalis penicillin-binding protein, putative 0.0186 0.1422 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0009 0.0018
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0652 0.1296
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.1042 0.2072
Loa Loa (eye worm) hypothetical protein 0.0054 0.0289 0.0575
Schistosoma mansoni importin beta-1 0.0057 0.0317 0.0631
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0098 0.0195
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0646 0.454
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.0314 0.0623
Schistosoma mansoni hypothetical protein 0.0608 0.503 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0095 0.0646 0.4505
Entamoeba histolytica Ran family GTPase 0.0042 0.0189 0.2922
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0009 0.0018
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0009 0.0018
Onchocerca volvulus 0.005 0.0255 0.174
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0098 0.0195
Loa Loa (eye worm) hypothetical protein 0.005 0.0255 0.0507
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.0646 0.454
Echinococcus granulosus snurportin 1 0.0608 0.503 1
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0646 0.454
Giardia lamblia Kinase, PLK 0.0095 0.0646 1
Toxoplasma gondii ABC1 family protein 0.0186 0.1422 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0 0.5
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0042 0.0189 0.1327
Echinococcus granulosus endonuclease exonuclease phosphatase 0.02 0.1538 0.3057
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0098 0.0195
Trichomonas vaginalis D-aminoacylase, putative 0.0186 0.1422 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0046 0.0225 0.1583
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0098 0.069
Brugia malayi nuclear receptor NHR-88 0.0021 0.0009 0.0063
Brugia malayi PHD-finger family protein 0.0031 0.0098 0.069
Schistosoma mansoni hypothetical protein 0.0306 0.2446 0.4862
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0009 0.0018
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0009 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0009 0.0063
Echinococcus multilocularis FTZ F1 alpha 0.0105 0.0731 0.1454
Entamoeba histolytica hypothetical protein 0.0035 0.0131 0.203
Giardia lamblia PHD finger protein 15 0.0031 0.0098 0.1519
Echinococcus granulosus beta LACTamase domain containing family member 0.0186 0.1422 0.2827
Loa Loa (eye worm) hypothetical protein 0.0057 0.0317 0.0631
Entamoeba histolytica hypothetical protein 0.0035 0.0131 0.203
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.0314 0.2205
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0042 0.0189 0.1327
Schistosoma mansoni jumonji domain containing protein 0.0082 0.0527 0.1048
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0314 0.0623
Trypanosoma cruzi hypothetical protein, conserved 0.0186 0.1422 1
Trichomonas vaginalis ran, putative 0.0042 0.0189 0.1327
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0046 0.0225 0.1583
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0009 0.0018
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0646 0.454
Mycobacterium tuberculosis Probable lipase LipD 0.0186 0.1422 0.1422
Leishmania major GTP-binding protein, putative 0.0042 0.0189 0.1327
Loa Loa (eye worm) hypothetical protein 0.0031 0.0098 0.0195
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0009 0.0018
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0042 0.0189 0.0375
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0157 0.4947
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0009 0.0063
Loa Loa (eye worm) hypothetical protein 0.0021 0.0009 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0009 0.0063
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0652 0.1296
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0009 0.0063
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0186 0.1422 0.2827
Echinococcus granulosus FTZ F1 alpha 0.0419 0.3411 0.6782
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0042 0.0189 0.5946
Toxoplasma gondii HEAT repeat-containing protein 0.0057 0.0317 0.2231
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0187 0.1313
Schistosoma mansoni hypothetical protein 0.0031 0.0098 0.0195
Loa Loa (eye worm) hypothetical protein 0.0186 0.1422 0.2827
Loa Loa (eye worm) MBCTL1 0.0057 0.0314 0.0623
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0098 0.069
Brugia malayi mbt repeat family protein 0.005 0.0255 0.1792
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0646 0.454
Loa Loa (eye worm) hypothetical protein 0.0186 0.1422 0.2827
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0009 0.0018
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0009 0.0018
Loa Loa (eye worm) hypothetical protein 0.0021 0.0009 0.0018
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0042 0.0189 0.2922
Schistosoma mansoni hypothetical protein 0.034 0.274 0.5448
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0009 0.0063
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0255 0.0507
Loa Loa (eye worm) hypothetical protein 0.0021 0.0009 0.0018
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0009 0.0018
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.1042 0.2072
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0095 0.0646 0.454
Echinococcus multilocularis beta LACTamase domain containing family member 0.0186 0.1422 0.2827
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0009 0.0018
Echinococcus multilocularis geminin 0.034 0.274 0.5448
Brugia malayi serine/threonine-protein kinase plk-2 0.0095 0.0646 0.454
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0009 0.0018
Trichomonas vaginalis D-aminoacylase, putative 0.0186 0.1422 1
Mycobacterium tuberculosis Probable esterase LipL 0.0186 0.1422 0.1422
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0009 0.0063
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0652 0.1296
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0187 0.1313
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0154 0.0307
Mycobacterium tuberculosis Conserved protein 0.0186 0.1422 0.1422
Loa Loa (eye worm) hypothetical protein 0.0021 0.0009 0.0018
Loa Loa (eye worm) hypothetical protein 0.0186 0.1422 0.2827
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0009 0.0063
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0646 0.454
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0042 0.0189 0.1327
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0009 0.0063
Mycobacterium tuberculosis Conserved protein 0.0186 0.1422 0.1422
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0105 0.0731 0.5144
Brugia malayi Bromodomain containing protein 0.0035 0.0128 0.0898
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0105 0.0731 0.1454
Mycobacterium tuberculosis Probable hydrolase 0.0186 0.1422 0.1422
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0187 0.1313
Mycobacterium leprae conserved hypothetical protein 0.0186 0.1422 0.5
Loa Loa (eye worm) hypothetical protein 0.0105 0.0731 0.1454
Entamoeba histolytica hypothetical protein 0.0035 0.0131 0.203
Echinococcus granulosus geminin 0.034 0.274 0.5448
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0203 0.0404
Trichomonas vaginalis D-aminoacylase, putative 0.0186 0.1422 1
Plasmodium falciparum importin beta, putative 0.0057 0.0317 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0009 0.0018
Brugia malayi beta-lactamase family protein 0.0186 0.1422 1
Leishmania major importin beta-1 subunit, putative 0.0046 0.0225 0.1583
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0009 0.0018
Loa Loa (eye worm) hypothetical protein 0.0021 0.0009 0.0018
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0009 0.0018
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0095 0.0646 0.1283
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0157 0.2431
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0154 0.0307
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0095 0.0646 0.1283
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.1042 0.733
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0009 0.0018
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0255 0.0507
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.0646 0.454
Mycobacterium ulcerans beta-lactamase 0.0186 0.1422 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.0652 0.4586
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0009 0.0018
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.1008 0.2005
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0203 0.0404
Schistosoma mansoni kinase 0.0048 0.0245 0.0486
Brugia malayi ecdysteroid receptor 0.0021 0.0009 0.0063
Schistosoma mansoni hypothetical protein 0.0035 0.0131 0.0261
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.0314 0.0623
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0098 0.069
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0186 0.1422 0.2827
Mycobacterium ulcerans esterase/lipase LipP 0.0186 0.1422 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0187 0.1313
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.0652 0.1296
Brugia malayi hypothetical protein 0.0035 0.0131 0.0922
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0009 0.0018
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0255 0.0507
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0009 0.0063
Trypanosoma cruzi hypothetical protein, conserved 0.0186 0.1422 1
Echinococcus granulosus importin subunit beta 1 0.0057 0.0317 0.0631
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0009 0.0063
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0009 0.0018
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0 0.5
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0608 0.503 1
Trypanosoma brucei polo-like protein kinase 0.0095 0.0646 0.454
Plasmodium vivax hypothetical protein, conserved 0.0186 0.1422 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0009 0.0018
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0042 0.0189 0.1327
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0154 0.0307
Loa Loa (eye worm) hypothetical protein 0.0021 0.0009 0.0018
Brugia malayi RNA, U transporter 1 0.0162 0.1215 0.8546
Echinococcus multilocularis peregrin 0.0035 0.0128 0.0254
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0234 0.1644
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.0652 0.1296
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0098 0.0195
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0646 0.454
Entamoeba histolytica hypothetical protein 0.0046 0.0225 0.3487
Onchocerca volvulus 0.0186 0.1422 1
Entamoeba histolytica hypothetical protein 0.0035 0.0131 0.203
Mycobacterium ulcerans hypothetical protein 0.0186 0.1422 1
Schistosoma mansoni ran 0.0042 0.0189 0.0375
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0009 0.0018
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0186 0.1422 0.1422
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0009 0.0063
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0009 0.0018
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0009 0.0018
Mycobacterium tuberculosis Conserved protein 0.0186 0.1422 0.1422
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0646 0.454
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.0927 0.1843
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.0927 0.1843
Onchocerca volvulus 0.0186 0.1422 1
Brugia malayi jmjC domain containing protein 0.0103 0.0708 0.4976
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0009 0.0018
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.0652 0.1296
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0105 0.0731 0.5144
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0154 0.0307
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0186 0.1422 1
Brugia malayi mbt repeat family protein 0.005 0.0255 0.1792
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0131 0.0261
Brugia malayi jmjC domain containing protein 0.0038 0.0154 0.1086
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0009 0.0018
Onchocerca volvulus 0.0186 0.1422 1
Trypanosoma brucei hypothetical protein, conserved 0.0186 0.1422 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.0255 0.174
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0103 0.0708 0.1407
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0187 0.0371
Trichomonas vaginalis penicillin-binding protein, putative 0.0186 0.1422 1
Leishmania major hypothetical protein, conserved 0.0186 0.1422 1
Plasmodium vivax importin-beta 2, putative 0.0057 0.0317 0.2231
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0009 0.0018
Loa Loa (eye worm) hypothetical protein 0.0057 0.0314 0.0623
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0009 0.0018
Brugia malayi steroid hormone receptor 0.0021 0.0009 0.0063
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0009 0.0063

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 0.11 % 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) = 3.8 % 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) = 5.68 % 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) = 8 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 87 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 100 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 12.2 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) = 8 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 87 % 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) = 6.06 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.87053 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.