Detailed information for compound 595229

Basic information

Technical information
  • TDR Targets ID: 595229
  • Name: 6-chloro-2,3,4,10-tetrahydro-1H-acridin-9-one
  • MW: 233.693 | Formula: C13H12ClNO
  • H donors: 1 H acceptors: 1 LogP: 3.4 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)[nH]c1c(c2=O)CCCC1
  • InChi: 1S/C13H12ClNO/c14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13(10)16/h5-7H,1-4H2,(H,15,16)
  • InChiKey: HIIMAULBOMFTFN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Oprea1_168896
  • Oprea1_097854
  • STK054851

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 Probable lipase LipD 0.0035 0.0544 0.0821
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.0895 1
Schistosoma mansoni nuclear hormone receptor 0.00159575 0.5 0.5
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0035 0.0521 0.5822
Onchocerca volvulus Bile acid receptor homolog 0.00159575 0.5 0.5
Echinococcus multilocularis tar DNA binding protein 0.0062 0.14 0.14
Loa Loa (eye worm) hypothetical protein 0.0035 0.0521 0.3721
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0026 0.0243 0.1732
Loa Loa (eye worm) hypothetical protein 0.0035 0.0521 0.3721
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0046 0.0895 1
Loa Loa (eye worm) steroid hormone receptor 0.00159575 0.5 0.5
Brugia malayi beta-lactamase family protein 0.0035 0.0544 0.3884
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0026 0.0243 0.1732
Brugia malayi Nuclear hormone receptor family member nhr-25 0.00159575 0.5 0.5
Echinococcus granulosus tar DNA binding protein 0.0062 0.14 0.14
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0026 0.0243 0.0243
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0849 0.0849
Loa Loa (eye worm) hypothetical protein 0.00159575 0.5 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.00159575 0.5 0.5
Schistosoma mansoni nuclear hormone receptor 0.0026 0.0243 0.1732
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0849 0.0849
Brugia malayi Nuclear hormone receptor-like 1 0.0026 0.0243 0.1732
Brugia malayi Steroid receptor seven-up type 2 0.00159575 0.5 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.00159575 0.5 0.5
Schistosoma mansoni thyroid hormone receptor 0.0026 0.0243 0.1732
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.00159575 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.0895 0.639
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0895 0.639
Loa Loa (eye worm) hypothetical protein 0.00159575 0.5 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0026 0.0243 0.1732
Echinococcus granulosus nuclear receptor 2DBD gamma 0.00159575 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.0965 0.6893
Mycobacterium tuberculosis Conserved protein 0.0035 0.0544 0.0821
Loa Loa (eye worm) hypothetical protein 0.0035 0.0544 0.3884
Mycobacterium tuberculosis Conserved protein 0.0035 0.0544 0.0821
Echinococcus multilocularis ecdysone induced protein 78C 0.0026 0.0243 0.0243
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0849 0.6062
Loa Loa (eye worm) hypothetical protein 0.00159575 0.5 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0026 0.0243 0.0243
Echinococcus granulosus FTZ F1 alpha 0.00159575 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.00159575 0.5 0.5
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.0521 0.9579
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.14 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0026 0.0243 0.1732
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0544 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.6621 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.00159575 0.5 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.00159575 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0026 0.0243 0.1732
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0544 0.3884
Echinococcus granulosus ecdysone induced protein 78C 0.00159575 0.5 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0849 0.0849
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0026 0.0243 0.1732
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.0521 1
Brugia malayi RNA binding protein 0.0062 0.14 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.0895 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0026 0.0243 0.0243
Brugia malayi beta-lactamase family protein 0.0035 0.0544 0.3884
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0544 0.6078
Loa Loa (eye worm) hypothetical protein 0.0035 0.0544 0.3884
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.00159575 0.5 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.00159575 0.5 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0026 0.0243 0.0243
Mycobacterium ulcerans beta-lactamase 0.0035 0.0544 0.6078
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.00159575 0.5 0.5
Entamoeba histolytica acyl-coA synthetase, putative 0.0046 0.0895 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0026 0.0243 0.1732
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0026 0.0243 0.1732
Loa Loa (eye worm) hypothetical protein 0.0035 0.0521 0.3721
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0544 1
Schistosoma mansoni thyroid hormone receptor 0.00159575 0.5 0.5
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.0895 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0026 0.0243 0.1732
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0026 0.0243 0.1732
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.00159575 0.5 0.5
Onchocerca volvulus 0.0035 0.0544 0.4169
Loa Loa (eye worm) hypothetical protein 0.0026 0.0243 0.1732
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0544 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0243 0.1732
Schistosoma mansoni coup transcription factor 0.0026 0.0243 0.1732
Brugia malayi beta-lactamase 0.0035 0.0544 0.3884
Brugia malayi photoreceptor-specific nuclear receptor 0.00159575 0.5 0.5
Brugia malayi steroid hormone receptor 0.0026 0.0243 0.1732
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0026 0.0243 0.1732
Schistosoma mansoni Tr4/Tr2 (homologue) 0.00159575 0.5 0.5
Toxoplasma gondii ABC1 family protein 0.0035 0.0544 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0521 0.3721
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.00159575 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0026 0.0243 0.1732
Schistosoma mansoni tar DNA-binding protein 0.0062 0.14 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0544 0.0821
Mycobacterium ulcerans hypothetical protein 0.0046 0.0895 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0243 0.1732
Schistosoma mansoni steroid hormone receptor ad4bp 0.0026 0.0243 0.1732
Echinococcus granulosus ecdysone induced protein 78C 0.0026 0.0243 0.0243
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.00159575 0.5 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0849 0.6062
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0849 0.6062
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.14 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.14 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.00159575 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0544 0.3884
Brugia malayi Nuclear hormone receptor family member nhr-25 0.00159575 0.5 0.5
Trichomonas vaginalis esterase, putative 0.0035 0.0544 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0544 0.3884
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0544 1
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0544 0.0821
Schistosoma mansoni RAR-like nuclear receptor 0.00159575 0.5 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0849 0.6062
Loa Loa (eye worm) hypothetical protein 0.00159575 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0035 0.0544 0.6078
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0544 0.0821
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.00159575 0.5 0.5
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.0895 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0544 0.6078
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.0521 0.0787
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0544 0.0821
Echinococcus multilocularis thyroid hormone receptor alpha 0.0026 0.0243 0.0243
Loa Loa (eye worm) hypothetical protein 0.00159575 0.5 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0544 0.0544
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0026 0.0243 0.1732
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0026 0.0243 0.1732
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0026 0.0243 0.1732
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0026 0.0243 0.1732
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.14 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0544 0.6078
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.00159575 0.5 0.5
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.0895 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0026 0.0243 0.1732
Schistosoma mansoni thyroid hormone receptor 0.0026 0.0243 0.1732
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0026 0.0243 0.1732
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0026 0.0243 0.0243
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0965 0.6893
Loa Loa (eye worm) hypothetical protein 0.0026 0.0243 0.1732
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0544 0.0544
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0035 0.0521 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0544 0.3884
Onchocerca volvulus 0.0035 0.0544 0.4169
Loa Loa (eye worm) hypothetical protein 0.0046 0.0895 0.639
Brugia malayi nuclear hormone receptor 0.0026 0.0243 0.1732
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0026 0.0243 0.1732
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0026 0.0243 0.1732
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0026 0.0243 0.0243
Schistosoma mansoni tar DNA-binding protein 0.0062 0.14 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.0895 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.0895 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.00159575 0.5 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0026 0.0243 0.0243
Brugia malayi ecdysteroid receptor 0.0026 0.0243 0.1732
Onchocerca volvulus 0.0048 0.0965 1
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0895 0.639
Loa Loa (eye worm) TAR-binding protein 0.0062 0.14 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.00159575 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.00159575 0.5 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0461 0.0696
Schistosoma mansoni retinoic acid receptor RXR 0.00159575 0.5 0.5
Loa Loa (eye worm) beta-lactamase 0.0035 0.0544 0.3884
Schistosoma mansoni thyroid hormone receptor 0.00159575 0.5 0.5
Brugia malayi ecdysteroid receptor 0.00159575 0.5 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0026 0.0243 0.1732
Loa Loa (eye worm) hypothetical protein 0.0026 0.0243 0.1732
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.00159575 0.5 0.5
Onchocerca volvulus 0.0046 0.0895 0.9025
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0544 0.0821
Brugia malayi nuclear receptor NHR-88 0.00159575 0.5 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0461 0.0696
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0544 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0026 0.0243 0.0243
Echinococcus multilocularis FTZ F1 alpha 0.0026 0.0243 0.0243
Brugia malayi TAR-binding protein 0.0062 0.14 1
Onchocerca volvulus Protein ultraspiracle homolog 0.00159575 0.5 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.00159575 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0026 0.0243 0.1732
Loa Loa (eye worm) hypothetical protein 0.0035 0.0544 0.3884
Loa Loa (eye worm) RNA binding protein 0.0062 0.14 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.00159575 0.5 0.5
Schistosoma mansoni coup transcription factor 0.00159575 0.5 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0544 1
Onchocerca volvulus 0.00159575 0.5 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0544 0.3884
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0849 0.0849
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.00159575 0.5 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.00159575 0.5 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0026 0.0243 0.0243
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0046 0.0895 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.00159575 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.0895 0.639
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.00159575 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0544 0.3884
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0026 0.0243 0.0243
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0544 0.0821
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.00159575 0.5 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.14 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0046 0.0895 0.1351
Loa Loa (eye worm) hypothetical protein 0.0026 0.0243 0.1732
Echinococcus multilocularis FTZ F1 alpha 0.00159575 0.5 0.5
Echinococcus multilocularis tumor protein p63 0.0331 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0026 0.0243 0.0243
Brugia malayi Nuclear hormone receptor-like 1 0.00159575 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.00159575 0.5 0.5
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0046 0.0895 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.00159575 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.00159575 0.5 0.5
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0046 0.0895 1
Loa Loa (eye worm) hypothetical protein 0.00159575 0.5 0.5
Brugia malayi nuclear hormone receptor 0.00159575 0.5 0.5
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0544 0.0821
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0849 0.6062
Loa Loa (eye worm) steroid hormone receptor 0.0026 0.0243 0.1732
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0026 0.0243 0.1732
Loa Loa (eye worm) hypothetical protein 0.0026 0.0243 0.1732
Brugia malayi Nuclear hormone receptor family member nhr-40 0.00159575 0.5 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0461 0.0696
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.00159575 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.00159575 0.5 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0544 0.3884
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.00159575 0.5 0.5
Brugia malayi nuclear receptor NHR-88 0.0026 0.0243 0.1732
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.0895 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0 0.5
Echinococcus granulosus FTZ F1 alpha 0.0026 0.0243 0.0243
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0026 0.0243 0.1732
Brugia malayi AMP-binding enzyme family protein 0.0046 0.0895 0.639
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.0895 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.00159575 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0026 0.0243 0.1732
Brugia malayi steroid hormone receptor 0.00159575 0.5 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0026 0.0243 0.1732
Loa Loa (eye worm) hypothetical protein 0.0026 0.0243 0.1732
Onchocerca volvulus 0.0035 0.0544 0.4169
Echinococcus granulosus retinoic acid receptor rxr beta a 0.00159575 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0521 0.3721
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0544 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0461 0.0696
Brugia malayi Nuclear hormone receptor family member nhr-14 0.00159575 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.00159575 0.5 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.00159575 0.5 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0026 0.0243 0.1732
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0026 0.0243 0.1732
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0026 0.0243 0.0243
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0026 0.0243 0.1732
Brugia malayi Steroid receptor seven-up type 2 0.0026 0.0243 0.1732
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.0895 1
Mycobacterium ulcerans lipase LipD 0.0035 0.0544 0.6078
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.00159575 0.5 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0544 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0026 0.0243 0.0243
Loa Loa (eye worm) hypothetical protein 0.00159575 0.5 0.5
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0544 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0046 0.0895 0.1351
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.00159575 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) NOVARTIS: Antimalarial liver stage activity measured as a greater than 50% reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells at 10uM compound concentration, determined by immuno-fluorescence. ChEMBL. 22096101
CC50 (functional) > 100 uM Huh7 cytotoxicity for Pf inhibitors Novartis-GNF Malaria Box. No reference
CC50 > 100 uM NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) ChEMBL. 18579783
EC50 (functional) = 122 nM Antimalarial activity against chloroquine, mefloquine, pyrimethamine and atovaquone-resistant Plasmodium falciparum TM90-C2B infected in human A positive erythrocytes after 72 hrs by SYBR Green I assay ChEMBL. 21630666
EC50 (functional) = 137 nM Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium falciparum W2 infected in human A positive erythrocytes after 72 hrs by SYBR Green I assay ChEMBL. 21630666
EC50 (functional) = 0.333 uM PF proliferation inhibition 3D7 Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.333 uM NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
EC50 (functional) = 0.649 uM W2 Pf proliferation inhibition Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.649 uM NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
EC50 (ADMET) > 10 uM Cytotoxicity against mouse J774 cells after 72 hrs by Cell titer 96 aqueous one solution cell proliferation assay ChEMBL. 21630666
IFI promiscuity index = 0 IFI promiscuity index Novartis-GNF Malaria Box. No reference
Inhibition (functional) = 2 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 3.08 % 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) = 3.09 % 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) = 4.95 % 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) = 33 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 73 % 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) = 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) = 0 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 2 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 33 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 73 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 96 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
Ratio EC50 (functional) = 0.89 Resistance index, ratio of EC50 for chloroquine, mefloquine, pyrimethamine and atovaquone-resistant Plasmodium falciparum TM90-C2B to EC50 for chloroquine and pyrimethamine-resistant Plasmodium falciparum W2 ChEMBL. 21630666
XC50 (functional) = 6.09 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.80966 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

Species name Source Reference Is orphan
Mus musculus ChEMBL23 21630666
Plasmodium falciparum ChEMBL23 18579783

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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