Detailed information for compound 1183504

Basic information

Technical information
  • TDR Targets ID: 1183504
  • Name: (4R,5R)-4-[(E)-5-[(2R)-6-hydroxy-2,8-dimethyl chroman-2-yl]-2-methylpent-2-enyl]-2-methyl-5 -(2-methylprop-1-enyl)cyclopent-2-en-1-one
  • MW: 408.573 | Formula: C27H36O3
  • H donors: 1 H acceptors: 2 LogP: 6.94 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C(=C\CC[C@]1(C)CCc2c(O1)c(C)cc(c2)O)/C[C@@H]1C=C(C(=O)[C@H]1C=C(C)C)C
  • InChi: 1S/C27H36O3/c1-17(2)12-24-22(14-19(4)25(24)29)13-18(3)8-7-10-27(6)11-9-21-16-23(28)15-20(5)26(21)30-27/h8,12,14-16,22,24,28H,7,9-11,13H2,1-6H3/b18-8+/t22-,24+,27-/m1/s1
  • InChiKey: NDNRSEWGNFSFQF-OBGZPPDCSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4R,5R)-4-[(E)-5-[(2R)-6-hydroxy-2,8-dimethyl-chroman-2-yl]-2-methyl-pent-2-enyl]-2-methyl-5-(2-methylprop-1-enyl)cyclopent-2-en-1-one
  • (4R,5R)-4-[(E)-5-[(2R)-6-hydroxy-2,8-dimethyl-2-chromanyl]-2-methylpent-2-enyl]-2-methyl-5-(2-methylprop-1-enyl)-1-cyclopent-2-enone

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 nuclear receptor 2DBD gamma 0.0012 0.0094 0.0097
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0026 0.034 0.0332
Giardia lamblia Hypothetical protein 0.0007 0.0023 0.5
Brugia malayi cDNA sequence BC018371 0.0007 0.0023 0.0023
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0566 0.9555 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0094 0.0835
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0688 0.071
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0688 0.0688
Onchocerca volvulus 0.0054 0.0812 0.9278
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.034 0.0318
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0026 0.034 0.0328
Loa Loa (eye worm) hypothetical protein 0.0012 0.0094 0.0094
Echinococcus granulosus microsomal glutathione S transferase 3 0.0109 0.176 0.1817
Echinococcus multilocularis AMP dependent ligase 0.0007 0.0023 0.0024
Schistosoma mansoni lamin 0.0057 0.0873 0.0902
Brugia malayi AMP-binding enzyme family protein 0.0026 0.034 0.034
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0688 0.071
Loa Loa (eye worm) hypothetical protein 0.0039 0.0566 0.0566
Echinococcus granulosus long chain fatty acid coenzyme A ligase 1 0.0007 0.0023 0.0024
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0876 0.0876
Schistosoma mansoni intermediate filament proteins 0.0057 0.0873 0.0902
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0026 0.034 0.0332
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.1049 0.1029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0094 0.0094
Echinococcus multilocularis long chain fatty acid coenzyme A ligase 5 0.0007 0.0023 0.0024
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0688 0.071
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0068 0.1049 0.1077
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0205 0.0205
Trichomonas vaginalis AMP dependent ligase, putative 0.0007 0.0023 0.0129
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0094 0.0097
Onchocerca volvulus 0.0026 0.034 0.3725
Schistosoma mansoni hypothetical protein 0.0018 0.0205 0.0212
Trichomonas vaginalis AMP dependent CoA ligase, putative 0.0007 0.0023 0.0129
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0094 0.0097
Onchocerca volvulus 0.0012 0.0094 0.0835
Brugia malayi intermediate filament protein 0.0057 0.0873 0.0873
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0064 0.0066
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.034 0.0318
Schistosoma mansoni long-chain-fatty-acid--CoA ligase 0.0007 0.0023 0.0024
Brugia malayi steroid hormone receptor 0.0012 0.0094 0.0094
Loa Loa (eye worm) hypothetical protein 0.0007 0.0023 0.0023
Echinococcus multilocularis long chain fatty acid coenzyme A ligase 5 0.0007 0.0023 0.0024
Echinococcus multilocularis long chain fatty acid transport protein 4 0.0573 0.9683 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0094 0.0094
Leishmania major fatty acid transporter protein-like protein 0.0566 0.9555 1
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0573 0.9683 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0688 0.071
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0031 0.0032
Echinococcus granulosus survival motor neuron protein 1 0.0263 0.439 0.4534
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.034 0.0332
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.034 0.0332
Schistosoma mansoni long-chain-fatty-acid--CoA ligase 0.0007 0.0023 0.0024
Giardia lamblia Long chain fatty acid CoA ligase, putative 0.0007 0.0023 0.5
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0477 0.8033 0.8295
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.034 0.0318
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0094 0.0097
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0094 0.0835
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0094 0.0097
Trichomonas vaginalis AMP dependent ligase, putative 0.0007 0.0023 0.0129
Echinococcus granulosus lamin 0.0057 0.0873 0.0902
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0876 0.0876
Echinococcus granulosus long chain fatty acid transport protein 4 0.0573 0.9683 1
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0026 0.034 0.1824
Loa Loa (eye worm) intermediate filament protein 0.0057 0.0873 0.0873
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.1049 0.1029
Schistosoma mansoni FFA transport protein 0.0573 0.9683 1
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0023 0.0023
Onchocerca volvulus 0.0057 0.0873 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.034 0.0332
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0068 0.1049 0.1084
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0094 0.0097
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0031 0.0419 0.0419
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.034 0.0318
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.034 0.0332
Schistosoma mansoni coup transcription factor 0.0012 0.0094 0.0097
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0026 0.034 0.0332
Loa Loa (eye worm) hypothetical protein 0.0007 0.0023 0.0023
Loa Loa (eye worm) histone methyltransferase 0.001 0.0064 0.0064
Toxoplasma gondii aldehyde dehydrogenase 0.0068 0.1049 0.5909
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0094 0.0097
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0094 0.0097
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0094 0.0094
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0094 0.0097
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0094 0.0097
Loa Loa (eye worm) hypothetical protein 0.0007 0.0023 0.0023
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.034 0.0318
Loa Loa (eye worm) oxidoreductase 0.0026 0.034 0.034
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.034 0.0332
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0094 0.0094
Schistosoma mansoni hypothetical protein 0.0007 0.0023 0.0024
Loa Loa (eye worm) hypothetical protein 0.0007 0.0023 0.0023
Giardia lamblia Long chain fatty acid CoA ligase 5 0.0007 0.0023 0.5
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0031 0.0032
Schistosoma mansoni long-chain-fatty-acid--CoA ligase 0.0007 0.0023 0.0024
Echinococcus multilocularis long chain fatty acid coenzyme A ligase 1 0.0007 0.0023 0.0024
Loa Loa (eye worm) hypothetical protein 0.0027 0.0349 0.0349
Onchocerca volvulus 0.0026 0.034 0.3725
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0094 0.0097
Loa Loa (eye worm) hypothetical protein 0.0007 0.0023 0.0023
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0026 0.034 0.0318
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0007 0.0023 0.0024
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.034 0.0318
Brugia malayi nuclear hormone receptor 0.0012 0.0094 0.0094
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0094 0.0094
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.034 0.0318
Loa Loa (eye worm) hypothetical protein 0.0056 0.0855 0.0855
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0068 0.1049 0.1077
Brugia malayi cytoplasmic intermediate filament protein 0.0031 0.0419 0.0419
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0026 0.034 0.0328
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0026 0.034 0.0332
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0205 0.0212
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0062 0.0062
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0094 0.0097
Trichomonas vaginalis AMP dependent CoA ligase, putative 0.0007 0.0023 0.0129
Schistosoma mansoni acetyl-CoA synthetase 0.0026 0.034 0.0351
Loa Loa (eye worm) hypothetical protein 0.0012 0.0094 0.0094
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.034 0.0332
Schistosoma mansoni long-chain-fatty-acid--CoA ligase 0.0007 0.0023 0.0024
Onchocerca volvulus 0.0032 0.0441 0.4916
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.034 0.0318
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0094 0.0094
Trichomonas vaginalis AMP dependent CoA ligase, putative 0.0007 0.0023 0.0129
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0023 0.0023
Echinococcus granulosus AMP dependent ligase 0.0007 0.0023 0.0024
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0028 0.0367 0.0379
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0026 0.034 0.0332
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0094 0.0097
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0026 0.034 0.0318
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0023 0.0023
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.034 0.0332
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0094 0.0094
Echinococcus multilocularis long chain fatty acid coenzyme A ligase 4 0.0007 0.0023 0.0024
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0026 0.034 1
Loa Loa (eye worm) hypothetical protein 0.0263 0.439 0.439
Trichomonas vaginalis AMP dependent ligase/synthetase, putative 0.0007 0.0023 0.0129
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0057 0.0873 0.0873
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0026 0.034 0.0318
Loa Loa (eye worm) hypothetical protein 0.0012 0.0094 0.0094
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0205 0.0212
Brugia malayi AMP-binding enzyme family protein 0.0026 0.034 0.034
Schistosoma mansoni cpg binding protein 0.0034 0.0472 0.0487
Loa Loa (eye worm) hypothetical protein 0.0026 0.034 0.034
Giardia lamblia Long chain fatty acid CoA ligase 5 0.0007 0.0023 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0031 0.0032
Trichomonas vaginalis long-chain-fatty-acid CoA ligase, putative 0.0007 0.0023 0.0129
Echinococcus multilocularis lamin dm0 0.0057 0.0873 0.0902
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0026 0.034 0.0351
Echinococcus granulosus long chain fatty acid coenzyme A ligase 5 0.0007 0.0023 0.0024
Loa Loa (eye worm) hypothetical protein 0.0028 0.0367 0.0367
Plasmodium vivax acetyl-CoA synthetase, putative 0.0026 0.034 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0007 0.0023 0.5
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0026 0.034 0.0332
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0094 0.0097
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0094 0.0097
Echinococcus granulosus lamin dm0 0.0057 0.0873 0.0902
Schistosoma mansoni hypothetical protein 0.0018 0.0205 0.0212
Loa Loa (eye worm) hypothetical protein 0.0012 0.0094 0.0094
Schistosoma mansoni microsomal glutathione s-transferase 0.0109 0.176 0.1817
Mycobacterium leprae possible long-chain acyl-CoA synthase 0.0566 0.9555 1
Brugia malayi ecdysteroid receptor 0.0012 0.0094 0.0094
Schistosoma mansoni hypothetical protein 0.0054 0.0812 0.0838
Echinococcus granulosus cpg binding protein 0.0034 0.0472 0.0487
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0094 0.0097
Schistosoma mansoni long-chain-fatty-acid--CoA ligase 0.0007 0.0023 0.0024
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0094 0.0097
Brugia malayi Intermediate filament tail domain containing protein 0.0057 0.0873 0.0873
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.034 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0031 0.0032
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0026 0.034 1
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0026 0.034 0.0332
Treponema pallidum long-chain-fatty-acid--CoA ligase 0.0007 0.0023 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0205 0.0212
Schistosoma mansoni long-chain-fatty-acid--CoA ligase 0.0007 0.0023 0.0024
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.034 0.0318
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0026 0.034 0.0332
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0094 0.0094
Echinococcus granulosus disco interacting protein 2 0.0007 0.0023 0.0024
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0688 0.071
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.1049 0.1084
Echinococcus multilocularis lamin 0.0057 0.0873 0.0902
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0566 0.0566
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0094 0.0097
Brugia malayi hypothetical protein 0.0007 0.0023 0.0023
Echinococcus granulosus long chain fatty acid coenzyme A ligase 1 0.0007 0.0023 0.0024
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0094 0.0097
Schistosoma mansoni long-chain-fatty-acid--CoA ligase 0.0007 0.0023 0.0024
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.1049 0.1084
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0094 0.0097
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0573 0.9683 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.034 0.0332
Loa Loa (eye worm) hypothetical protein 0.0026 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0027 0.0349 0.0349
Mycobacterium ulcerans acetyl-CoA synthetase 0.0026 0.034 0.0318
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0094 0.0097
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0094 0.0094
Schistosoma mansoni cpg binding protein 0.0032 0.0441 0.0455
Schistosoma mansoni long-chain-fatty-acid--CoA ligase 0.0007 0.0023 0.0024
Loa Loa (eye worm) hypothetical protein 0.0007 0.0023 0.0023
Onchocerca volvulus 0.0057 0.0873 1
Trichomonas vaginalis AMP dependent ligase/synthetase, putative 0.0007 0.0023 0.0129
Loa Loa (eye worm) hypothetical protein 0.0026 0.034 0.034
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0094 0.0097
Brugia malayi nuclear receptor NHR-88 0.0012 0.0094 0.0094
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0094 0.0097
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0094 0.0835
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0441 0.0441
Schistosoma mansoni hypothetical protein 0.0039 0.0566 0.0584
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0026 0.034 0.0332
Trichomonas vaginalis antibiotic synthetase, putative 0.0026 0.034 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0023 0.0023
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0026 0.034 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.034 0.0318
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0026 0.034 0.1824
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0094 0.0094
Echinococcus granulosus long chain fatty acid coenzyme A ligase 5 0.0007 0.0023 0.0024
Brugia malayi AMP-binding enzyme family protein 0.0026 0.034 0.034
Giardia lamblia Long chain fatty acid CoA ligase 5 0.0007 0.0023 0.5
Echinococcus multilocularis disco interacting protein 2 0.0007 0.0023 0.0024
Schistosoma mansoni AMP dependent ligase 0.0007 0.0023 0.0024
Brugia malayi hypothetical protein 0.0007 0.0023 0.0023
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0094 0.0097
Giardia lamblia Long chain fatty acid CoA ligase 4 0.0007 0.0023 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.034 0.0318
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0205 0.0212
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0688 0.071
Onchocerca volvulus 0.0026 0.034 0.3725
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0026 0.034 0.0351
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0094 0.0094
Trichomonas vaginalis AMP dependent ligase/synthetase, putative 0.0007 0.0023 0.0129
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0688 0.071
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.034 0.0318
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0026 0.034 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0023 0.0023
Toxoplasma gondii propionate-CoA ligase 0.0026 0.034 0.1824
Echinococcus multilocularis musashi 0.0057 0.0873 0.0902
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0109 0.176 0.1817
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0023 0.0023
Trichomonas vaginalis AMP dependent ligase/synthetase, putative 0.0007 0.0023 0.0129
Toxoplasma gondii MAPEG family protein 0.0109 0.176 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0094 0.0094
Brugia malayi AMP-binding enzyme family protein 0.0026 0.034 0.034
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0094 0.0097
Echinococcus granulosus dnaJ subfamily B 0.0455 0.7671 0.7922
Echinococcus multilocularis acyl coenzyme A synthetase family 0.0007 0.0023 0.0024
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.034 1
Trichomonas vaginalis AMP dependent ligase/synthetase, putative 0.0007 0.0023 0.0129
Brugia malayi AMP-binding enzyme family protein 0.0026 0.034 0.034
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.034 0.0332
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0876 0.0876
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0094 0.0094
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0023 0.0023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0094 0.0094
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0068 0.1053 0.1087
Loa Loa (eye worm) hypothetical protein 0.0018 0.0205 0.0205
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0094 0.0094
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0094 0.0094
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0026 0.034 0.034
Echinococcus multilocularis long chain fatty acid coenzyme A ligase 1 0.0007 0.0023 0.0024
Loa Loa (eye worm) hypothetical protein 0.0007 0.0023 0.0023
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0026 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0057 0.0876 0.0876
Loa Loa (eye worm) hypothetical protein 0.0012 0.0094 0.0094
Schistosoma mansoni long-chain-fatty-acid--CoA ligase 0.0007 0.0023 0.0024
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0205 0.0205
Echinococcus multilocularis survival motor neuron protein 1 0.0263 0.439 0.4534
Trichomonas vaginalis antibiotic synthetase, putative 0.0026 0.034 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0064 0.0066
Loa Loa (eye worm) hypothetical protein 0.0026 0.034 0.034
Schistosoma mansoni hypothetical protein 0.0455 0.7671 0.7922
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0026 0.034 0.0328
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0094 0.0097
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.034 0.0318
Schistosoma mansoni hypothetical protein 0.0018 0.0205 0.0212
Leishmania major acetyl-CoA synthetase, putative 0.0026 0.034 0.0332
Trichomonas vaginalis long-chain-fatty-acid CoA ligase, putative 0.0007 0.0023 0.0129
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.034 0.0332
Loa Loa (eye worm) hypothetical protein 0.0057 0.0873 0.0873
Loa Loa (eye worm) hypothetical protein 0.0026 0.034 0.034
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.034 1
Trichomonas vaginalis AMP dependent ligase/synthetase, putative 0.0007 0.0023 0.0129
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0026 0.034 0.0318
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0094 0.0094
Echinococcus multilocularis GPCR, family 2 0.0018 0.0205 0.0212
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0094 0.0094
Echinococcus granulosus GPCR family 2 0.0018 0.0205 0.0212
Echinococcus granulosus long chain fatty acid coenzyme A ligase 4 0.0007 0.0023 0.0024
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0812 0.0812
Giardia lamblia Long chain fatty acid CoA ligase 5 0.0007 0.0023 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0094 0.0094
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.1049 0.1029
Brugia malayi hypothetical protein 0.0263 0.439 0.439
Trichomonas vaginalis AMP dependent ligase, putative 0.0007 0.0023 0.0129
Onchocerca volvulus 0.0026 0.034 0.3725
Schistosoma mansoni FAA1 Long-chain-fatty-acid--CoA ligase 1 0.0007 0.0023 0.0024
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.034 0.0318
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0026 0.034 0.0318
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.0929 0.5219
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0688 0.0688
Loa Loa (eye worm) hypothetical protein 0.0007 0.0023 0.0023
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0094 0.0097
Loa Loa (eye worm) hypothetical protein 0.0007 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0012 0.0094 0.0094
Schistosoma mansoni hypothetical protein 0.0018 0.0205 0.0212
Echinococcus multilocularis dnaJ subfamily B 0.0455 0.7671 0.7922
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0019 0.0212 0.0198
Loa Loa (eye worm) hypothetical protein 0.0012 0.0094 0.0094
Trichomonas vaginalis AMP dependent ligase/synthetase, putative 0.0007 0.0023 0.0129
Schistosoma mansoni cpg binding protein 0.0034 0.0472 0.0487
Schistosoma mansoni survival motor neuron protein 0.0054 0.0812 0.0838
Mycobacterium ulcerans hypothetical protein 0.0026 0.034 0.0318
Echinococcus granulosus acyl coenzyme A synthetase family 0.0007 0.0023 0.0024
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0068 0.1049 0.1084
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.034 0.0332
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0094 0.0094
Schistosoma mansoni lamin 0.0057 0.0873 0.0902
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.034 0.0318
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0031 0.0032
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0205 0.0205
Loa Loa (eye worm) hypothetical protein 0.0007 0.0023 0.0023
Leishmania major acetyl-CoA synthetase, putative 0.0026 0.034 0.0332
Loa Loa (eye worm) hypothetical protein 0.0007 0.0023 0.0023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0094 0.0094
Onchocerca volvulus 0.0026 0.034 0.3725
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0094 0.0097
Brugia malayi CXXC zinc finger family protein 0.0032 0.0441 0.0441
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0026 0.034 0.034
Brugia malayi AMP-binding enzyme family protein 0.0026 0.034 0.034
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0094 0.0094
Echinococcus multilocularis cpg binding protein 0.0034 0.0472 0.0487
Brugia malayi Disco-interacting protein 2 homolog 0.0007 0.0023 0.0023
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.034 0.0332
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0026 0.034 0.0332
Schistosoma mansoni long-chain-fatty-acid--CoA ligase 0.0007 0.0023 0.0024
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0026 0.034 0.0318
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0094 0.0097
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0023 0.0023
Trichomonas vaginalis long-chain-fatty-acid CoA ligase, putative 0.0007 0.0023 0.0129
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.034 0.0318
Loa Loa (eye worm) hypothetical protein 0.0012 0.0094 0.0094
Echinococcus granulosus intermediate filament protein 0.0057 0.0873 0.0902
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0094 0.0094
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0094 0.0094
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0028 0.0367 0.0379
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0094 0.0097
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0026 0.034 0.0328

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 60.8 ug ml-1 Inhibition of Candida albicans ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry ChEMBL. 21377877
Inhibition (functional) Antifungal activity against Candida albicans ATCC 10231 at 100 ug/ml after 2 weeks ChEMBL. 21377877
MIC (functional) > 100 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 after 24 hrs by broth dilution method ChEMBL. 21377877

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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