Detailed information for compound 1299730

Basic information

Technical information
  • TDR Targets ID: 1299730
  • Name: 5-Allyl-4-(2-chloro-phenyl)-5-cyano-2-methyl- 6-thioxo-1,4,5,6-tetrahydro-pyridine-3-carbox ylic acid allyl ester
  • MW: 386.895 | Formula: C20H19ClN2O2S
  • H donors: 0 H acceptors: 2 LogP: 4.36 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCOC(=O)C1=C(C)N=C(C(C1c1ccccc1Cl)(C#N)CC=C)S
  • InChi: 1S/C20H19ClN2O2S/c1-4-10-20(12-22)17(14-8-6-7-9-15(14)21)16(13(3)23-19(20)26)18(24)25-11-5-2/h4-9,17H,1-2,10-11H2,3H3,(H,23,26)
  • InChiKey: SNVDSJZFACZEPJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000769632
  • SMR000434423
  • STOCK3S-61098

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0006 0.001 0.0016
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.007 0.0078
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.007 0.0105
Entamoeba histolytica Ran family GTPase 0.0045 0.0404 0.8795
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0037 0.0329 0.0383
Onchocerca volvulus 0.0037 0.0329 0.1387
Brugia malayi nuclear hormone receptor 0.0012 0.007 0.0177
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0037 0.0329 0.0479
Loa Loa (eye worm) kap beta 3 protein 0.0012 0.0062 0.0094
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0511 0.0508
Trypanosoma cruzi amidase, putative 0.0047 0.0424 0.7808
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0005
Brugia malayi Amidase family protein 0.0047 0.0424 0.1081
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0047 0.0424 0.0421
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.007 0.0177
Brugia malayi nuclear receptor RXR 0.0006 0.001 0.0027
Brugia malayi hypothetical protein 0.0006 0.001 0.0027
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0005
Loa Loa (eye worm) hypothetical protein 0.0061 0.0569 0.086
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.007 0.0078
Trichomonas vaginalis ran, putative 0.0045 0.0404 0.0614
Brugia malayi tailless protein 0.0006 0.0003 0.0008
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0045 0.0404 0.0401
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0383 0.0576
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0005
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.007 0.0078
Brugia malayi acetyltransferase, GNAT family protein 0.0145 0.1436 0.3659
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.007 0.0078
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0005
Schistosoma mansoni dihydropteridine reductase 0.0037 0.0329 0.0383
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.014 0.0161
Brugia malayi MH2 domain containing protein 0.0144 0.1425 0.3631
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0005
Brugia malayi MH1 domain containing protein 0.001 0.0045 0.0115
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.007 0.0078
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0247 0.0244
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.007 0.0078
Loa Loa (eye worm) importin-beta domain-containing protein 0.0012 0.0062 0.0094
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.007 0.0066
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.007 0.0066
Schistosoma mansoni hypothetical protein 0.0205 0.2046 0.2403
Onchocerca volvulus 0.0234 0.235 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.007 0.0066
Brugia malayi kap beta 3 protein 0.0012 0.0062 0.0159
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0045 0.0404 0.0614
Brugia malayi nuclear hormone receptor 0.0006 0.0003 0.0008
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0037 0.0329 0.6858
Brugia malayi nuclear receptor NHR-67 0.0006 0.0003 0.0008
Trypanosoma cruzi amidase, putative 0.0047 0.0424 0.7808
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.007 0.0177
Onchocerca volvulus 0.0012 0.007 0.0282
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0562 0.1433
Echinococcus granulosus histone acetyltransferase KAT2B 0.0141 0.1394 0.1636
Schistosoma mansoni smad1 5 8 and 0.001 0.0045 0.0049
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0553 0.5624 1
Brugia malayi MH2 domain containing protein 0.001 0.0045 0.0115
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0247 0.0333
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0047 0.0424 0.0421
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0511 0.0508
Loa Loa (eye worm) oxidoreductase 0.0037 0.0329 0.0497
Loa Loa (eye worm) nuclear receptor NHR-67 0.0006 0.0003 0.0005
Brugia malayi nuclear receptor NHR-88 0.0012 0.007 0.0177
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0049 0.0451 0.0699
Schistosoma mansoni fatty-acid amide hydrolase 0.0388 0.3924 0.4613
Echinococcus granulosus snurportin 1 0.065 0.6616 0.7781
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0553 0.5624 1
Toxoplasma gondii HEAT repeat-containing protein 0.0061 0.0569 0.0911
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0247 0.0287
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.007 0.0066
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.007 0.0282
Brugia malayi hypothetical protein 0.0006 0.001 0.0027
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.007 0.0105
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.007 0.0078
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0511 0.0598
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0037 0.0329 0.0479
Schistosoma mansoni hypothetical protein 0.0041 0.0367 0.0428
Mycobacterium ulcerans peptide amidase, GatA 0.0047 0.0424 0.018
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0553 0.5624 1
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0037 0.0329 0.0326
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0037 0.0329 0.0383
Brugia malayi hypothetical protein 0.0006 0.0003 0.0008
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.007 0.0282
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0005
Brugia malayi nuclear receptor RXR 0.0006 0.0003 0.0008
Schistosoma mansoni hypothetical protein 0.0019 0.014 0.0161
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0005
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0037 0.0329 0.5258
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0045 0.0068
Echinococcus multilocularis importin 5 0.0012 0.0062 0.0059
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0047 0.0424 0.018
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0047 0.0424 0.018
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0049 0.0451 0.0699
Echinococcus multilocularis importin subunit beta 1 0.0061 0.0569 0.0566
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.007 0.0078
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.007 0.0177
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.007 0.0078
Brugia malayi MH1 domain containing protein 0.001 0.0045 0.0115
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0045 0.0042
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0553 0.5624 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0061 0.0569 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0383 0.0576
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0047 0.0424 0.018
Echinococcus granulosus Smad4 0.001 0.0045 0.0049
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0562 0.085
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0511 0.0598
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.014 0.0137
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0383 0.0576
Loa Loa (eye worm) hypothetical protein 0.0012 0.007 0.0105
Mycobacterium ulcerans amidase 0.0047 0.0424 0.018
Loa Loa (eye worm) hypothetical protein 0.0037 0.0329 0.0497
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0005
Brugia malayi ecdysteroid receptor 0.0012 0.007 0.0177
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0047 0.0424 0.018
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0045 0.0404 0.0611
Brugia malayi steroid hormone receptor 0.0012 0.007 0.0177
Echinococcus multilocularis Smad4 0.001 0.0045 0.0042
Loa Loa (eye worm) amidase 0.0047 0.0424 0.0641
Schistosoma mansoni importin beta-1 0.0061 0.0569 0.0666
Trypanosoma cruzi importin beta-1 subunit, putative 0.0049 0.0451 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.007 0.0105
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0037 0.0329 0.0838
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.007 0.0105
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.007 0.0177
Schistosoma mansoni amidase 0.0388 0.3924 0.4613
Brugia malayi nuclear receptor NHR-88 0.0006 0.0003 0.0008
Mycobacterium ulcerans amidase 0.0047 0.0424 0.018
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8502 1
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.007 0.0177
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0511 0.1303
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0047 0.0424 0.0495
Loa Loa (eye worm) hypothetical protein 0.0012 0.007 0.0105
Echinococcus granulosus fatty acid amide hydrolase 1 0.0388 0.3924 0.4613
Leishmania major GTP-binding protein, putative 0.0045 0.0404 0.8795
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0005
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0045 0.0404 0.6167
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.007 0.0282
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0553 0.5624 1
Trypanosoma brucei oxidoreductase-like protein 0.0037 0.0329 0.5258
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1425 0.2153
Leishmania major importin beta-1 subunit, putative 0.0049 0.0451 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0006 0.0003 0.0008
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.001 0.0007
Loa Loa (eye worm) nuclear hormone receptor 0.0006 0.0003 0.0005
Schistosoma mansoni thyroid hormone receptor 0.0012 0.007 0.0078
Echinococcus granulosus fatty acid amide hydrolase 1 0.0388 0.3924 0.4613
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.007 0.0078
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0045 0.0042
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0037 0.0329 0.0838
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.001 0.0008
Schistosoma mansoni thyroid hormone receptor 0.0012 0.007 0.0078
Loa Loa (eye worm) hypothetical protein 0.0012 0.007 0.0105
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0005
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0045 0.0404 0.0614
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.007 0.0078
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0236 0.0274
Brugia malayi nuclear hormone receptor family member odr-7 0.0006 0.0003 0.0008
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0037 0.0329 0.0497
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0005
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0511 0.0598
Schistosoma mansoni fatty-acid amide hydrolase 0.0047 0.0424 0.0495
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.001 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.007 0.0177
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.007 0.0078
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.014 0.0356
Echinococcus granulosus transportin 1 0.0012 0.0062 0.007
Brugia malayi Pre-SET motif family protein 0.0206 0.2058 0.5246
Schistosoma mansoni hypothetical protein 0.0019 0.014 0.0161
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0045 0.0404 0.0614
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0145 0.1436 0.1685
Schistosoma mansoni hypothetical protein 0.0019 0.014 0.0161
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.001 0.0008
Echinococcus granulosus GTP binding nuclear protein Ran 0.0045 0.0404 0.0472
Echinococcus multilocularis translational activator gcn1 0.0012 0.0062 0.0059
Leishmania major oxidoreductase-like protein 0.0037 0.0329 0.6858
Echinococcus granulosus smad 0.001 0.0045 0.0049
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0037 0.0329 0.6858
Brugia malayi conserved hypotetical protein 0.0006 0.0003 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.007 0.0177
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0006 0.0003 0.0008
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.007 0.0177
Schistosoma mansoni coup transcription factor 0.0012 0.007 0.0078
Schistosoma mansoni ran 0.0045 0.0404 0.0472
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8502 0.8501
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.007 0.0105
Brugia malayi amidase 0.0388 0.3924 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.007 0.0177
Loa Loa (eye worm) hypothetical protein 0.0006 0.001 0.0016
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0045 0.0404 0.6167
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0045 0.0404 1
Schistosoma mansoni hypothetical protein 0.0205 0.2046 0.2403
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0346 0.7305
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.001 0.0027
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.007 0.0066
Loa Loa (eye worm) hypothetical protein 0.0388 0.3924 0.5931
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.007 0.0177
Loa Loa (eye worm) hypothetical protein 0.0012 0.007 0.0105
Brugia malayi Smad1 0.001 0.0045 0.0115
Mycobacterium ulcerans amidase 0.0047 0.0424 0.018
Mycobacterium ulcerans amidase 0.0047 0.0424 0.018
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0045 0.0404 0.103
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0006 0.0003 0.0005
Schistosoma mansoni smad1 5 8 and 0.001 0.0045 0.0049
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0037 0.0329 0.0479
Brugia malayi Pre-SET motif family protein 0.003 0.0247 0.0631
Echinococcus granulosus importin 5 0.0012 0.0062 0.007
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0388 0.3924 0.3922
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0247 0.0287
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.007 0.0078
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0247 0.0244
Echinococcus multilocularis transportin 1 0.0012 0.0062 0.0059
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0047 0.0424 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.2058 0.3111
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0553 0.5624 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0005
Trichomonas vaginalis hypothetical protein 0.0553 0.5624 1
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.007 0.0066
Loa Loa (eye worm) hypothetical protein 0.0006 0.001 0.0016
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0047 0.0424 0.018
Schistosoma mansoni hypothetical protein 0.065 0.6616 0.7781
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.007 0.0078
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0037 0.0329 0.0479
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.007 0.0066
Brugia malayi Importin beta-1 subunit 0.0061 0.0569 0.1451
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.007 0.0105
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.007 0.0105
Loa Loa (eye worm) hypothetical protein 0.003 0.0247 0.0374
Echinococcus granulosus GPCR family 2 0.0019 0.014 0.0161
Schistosoma mansoni smad1 5 8 and 0.001 0.0045 0.0049
Brugia malayi Latrophilin receptor protein 2 0.0019 0.014 0.0356
Brugia malayi putative amidase 0.0047 0.0424 0.1081
Entamoeba histolytica hypothetical protein 0.0049 0.0451 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.014 0.0161
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0247 0.0287
Brugia malayi orphan nuclear receptor NR2E1 0.0006 0.0003 0.0008
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0346 0.051
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8502 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.014 0.0211
Loa Loa (eye worm) acetyltransferase 0.0145 0.1436 0.217
Brugia malayi RNA, U transporter 1 0.0173 0.1721 0.4387
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0383 0.0576
Schistosoma mansoni ran 0.0045 0.0404 0.0472
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.007 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.007 0.0177
Brugia malayi hypothetical protein 0.0006 0.0003 0.0008
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0047 0.0424 0.0651
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0045 0.0068
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0045 0.0049
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0367 0.0935
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0511 0.0773
Echinococcus multilocularis smad 0.001 0.0045 0.0042
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0047 0.0424 0.018
Mycobacterium ulcerans amidase 0.0047 0.0424 0.018
Echinococcus multilocularis geminin 0.0205 0.2046 0.2043
Brugia malayi ecdysone receptor 0.0006 0.0003 0.0008
Loa Loa (eye worm) hypothetical protein 0.0041 0.0367 0.0554
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0383 0.0447
Brugia malayi Nuclear hormone receptor E75 0.0006 0.0003 0.0008
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0383 0.0576
Echinococcus granulosus geminin 0.0205 0.2046 0.2403
Schistosoma mansoni smad 0.001 0.0045 0.0049
Loa Loa (eye worm) hypothetical protein 0.0006 0.001 0.0016
Echinococcus granulosus importin subunit beta 1 0.0061 0.0569 0.0666
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.007 0.0078
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.007 0.0078
Brugia malayi Amidase family protein 0.0047 0.0424 0.1081
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0047 0.0424 0.714
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.007 0.0078
Plasmodium vivax importin-beta 2, putative 0.0061 0.0569 0.0911
Trichomonas vaginalis importin beta-1, putative 0.0049 0.0451 0.0699
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.007 0.0105
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.065 0.6616 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.007 0.0177
Leishmania major hypothetical protein, conserved 0.0047 0.0424 0.9311
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0005
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1425 0.2153
Trypanosoma brucei pteridine reductase 1 0.0037 0.0329 0.5258
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.007 0.0177
Brugia malayi Nuclear hormone receptor E75 0.0006 0.0003 0.0008
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0047 0.0424 0.0651
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0145 0.1436 0.1433
Schistosoma mansoni nuclear hormone receptor 0.0012 0.007 0.0078
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0037 0.0329 0.6858
Loa Loa (eye worm) hypothetical protein 0.0006 0.001 0.0016
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0047 0.0424 0.018
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0047 0.0424 0.018
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.007 0.0066
Schistosoma mansoni importin-beta 2 0.0012 0.0062 0.007
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.014 0.0137
Leishmania major pteridine reductase 1 0.0037 0.0329 0.6858
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0047 0.0424 0.018
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0045 0.0049
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0247 0.0287
Echinococcus granulosus FTZ F1 alpha 0.0012 0.007 0.0078
Loa Loa (eye worm) DR-78 0.0006 0.0003 0.0005
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0511 0.0598
Schistosoma mansoni hypothetical protein 0.0019 0.014 0.0161
Loa Loa (eye worm) retinol dehydrogenase 12 0.0037 0.0329 0.0497
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.007 0.0177
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.014 0.0211
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0047 0.0424 0.018
Plasmodium falciparum enoyl-acyl carrier reductase 0.0553 0.5624 1
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0037 0.0329 0.0479
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.007 0.0066
Plasmodium vivax SET domain protein, putative 0.003 0.0247 0.0333
Echinococcus granulosus fatty acid amide hydrolase 1 0.0047 0.0424 0.0495
Brugia malayi MH2 domain containing protein 0.001 0.0045 0.0115
Schistosoma mansoni Smad4 0.001 0.0045 0.0049
Loa Loa (eye worm) hypothetical protein 0.006 0.0562 0.085
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0388 0.3924 0.3922
Echinococcus multilocularis snurportin 1 0.065 0.6616 0.6615
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.001 0.0027
Loa Loa (eye worm) hypothetical protein 0.0012 0.007 0.0105
Trypanosoma brucei importin beta-1 subunit, putative 0.0061 0.0569 1
Onchocerca volvulus 0.0037 0.0329 0.1387
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0247 0.0287
Loa Loa (eye worm) Smad1 0.001 0.0045 0.0068
Loa Loa (eye worm) amidase 0.0047 0.0424 0.0641
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.001 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.007 0.0177
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0037 0.0329 0.6858
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0511 0.0598
Loa Loa (eye worm) hypothetical protein 0.0012 0.007 0.0105
Echinococcus multilocularis GPCR, family 2 0.0019 0.014 0.0137
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0047 0.0424 0.0495
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0553 0.5624 1
Onchocerca volvulus 0.003 0.0247 0.104
Trichomonas vaginalis set domain proteins, putative 0.0234 0.235 0.4114
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0045 0.0049
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0562 0.1433
Loa Loa (eye worm) hypothetical protein 0.0012 0.007 0.0105
Echinococcus granulosus translational activator gcn1 0.0012 0.0062 0.007
Plasmodium falciparum importin beta, putative 0.0061 0.0569 0.0911
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0045 0.0404 0.6744
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.007 0.0105

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4716 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 1.4716 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.1962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 58.4789 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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

No literature references available for this target.

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