Detailed information for compound 1219458

Basic information

Technical information
  • TDR Targets ID: 1219458
  • Name: N-[(Z)-1-(1-ethylindol-3-yl)-3-(4-methylpiper azin-1-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenz amide
  • MW: 446.541 | Formula: C26H30N4O3
  • H donors: 1 H acceptors: 2 LogP: 3.01 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C(=O)N/C(=C\c1cn(c2c1cccc2)CC)/C(=O)N1CCN(CC1)C
  • InChi: 1S/C26H30N4O3/c1-4-29-18-19(20-9-5-7-11-23(20)29)17-22(26(32)30-15-13-28(2)14-16-30)27-25(31)21-10-6-8-12-24(21)33-3/h5-12,17-18H,4,13-16H2,1-3H3,(H,27,31)/b22-17-
  • InChiKey: DZKCSIPETPMQAS-XLNRJJMWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(Z)-2-(1-ethylindol-3-yl)-1-(4-methylpiperazine-1-carbonyl)vinyl]-2-methoxy-benzamide
  • N-[(Z)-2-(1-ethyl-3-indolyl)-1-[(4-methyl-1-piperazinyl)-oxomethyl]vinyl]-2-methoxybenzamide
  • N-[(Z)-1-(1-ethylindol-3-yl)-3-(4-methylpiperazin-1-yl)-3-oxo-prop-1-en-2-yl]-2-methoxy-benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein 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 guanine nucleotide binding protein Gs subunit 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
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 granulosus guanine nucleotide binding protein Gs subunit 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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 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
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.012 0.0124
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.012 0.0124
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.012 0.0124
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.012 0.0274
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.012 0.0124
Loa Loa (eye worm) hypothetical protein 0.0073 0.1485 0.3563
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.012 0.0124
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0359 0.2405
Echinococcus multilocularis dnaJ subfamily B 0.0429 0.9152 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.012 0.0124
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.0901 0.4817
Loa Loa (eye worm) hypothetical protein 0.0069 0.1401 0.3359
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0073 0.1485 0.3563
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0359 0.2417
Brugia malayi beta-lactamase family protein 0.0073 0.1485 0.3563
Schistosoma mansoni hypothetical protein 0.0032 0.0597 0.0646
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0052 0.0351
Schistosoma mansoni bromodomain containing protein 0.0006 0.0025 0.002
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.2093 0.5027
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0359 0.0849
Schistosoma mansoni cpg binding protein 0.003 0.0554 0.0599
Schistosoma mansoni ap endonuclease 0.0021 0.0359 0.0385
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.1282 0.1395
Brugia malayi beta-lactamase family protein 0.0073 0.1485 0.3563
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.1218 0.7628
Trichomonas vaginalis bromodomain-containing protein, putative 0.0046 0.0901 0.607
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.0901 0.0979
Schistosoma mansoni hypothetical protein 0.0032 0.0597 0.0646
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.012 0.0274
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.0274
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.012 0.0124
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.1485 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.012 0.0274
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.2093 0.5027
Schistosoma mansoni tar DNA-binding protein 0.0197 0.4157 0.4538
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.012 0.0124
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0157 0.3293 0.3594
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0052 0.0351
Schistosoma mansoni hypothetical protein 0.0344 0.7318 0.7995
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0073 0.1485 0.1168
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0052 0.0351
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.012 0.0124
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.012 0.0274
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.1485 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.012 0.0274
Schistosoma mansoni tar DNA-binding protein 0.0197 0.4157 0.4538
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.012 0.0274
Echinococcus multilocularis FTZ F1 alpha 0.001 0.012 0.0124
Brugia malayi hypothetical protein 0.0005 0.0019 0.0029
Schistosoma mansoni cpg binding protein 0.0032 0.0591 0.0639
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.012 0.0124
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0359 0.0849
Brugia malayi TAR-binding protein 0.0197 0.4157 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0019 0.0013
Loa Loa (eye worm) hypothetical protein 0.0006 0.0025 0.0045
Echinococcus multilocularis GPCR, family 2 0.0032 0.0597 0.0646
Echinococcus granulosus dnaJ subfamily B 0.0429 0.9152 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.0019 0.0029
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.012 0.0274
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.012 0.0274
Brugia malayi RNA recognition motif domain containing protein 0.0197 0.4157 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0554 0.132
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0597 0.1423
Mycobacterium leprae conserved hypothetical protein 0.0073 0.1485 0.5
Schistosoma mansoni ap endonuclease 0.0021 0.0359 0.0385
Schistosoma mansoni bromodomain containing protein 0.0006 0.0025 0.002
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0066 0.0065
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.012 0.0124
Loa Loa (eye worm) hypothetical protein 0.0032 0.0597 0.1423
Loa Loa (eye worm) hypothetical protein 0.0005 0.0019 0.0029
Leishmania major hypothetical protein, conserved 0.0073 0.1485 1
Mycobacterium tuberculosis Conserved protein 0.0073 0.1485 0.1168
Onchocerca volvulus 0.001 0.012 0.0768
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.012 0.0124
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.2093 0.5027
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0019 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.012 0.0274
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0052 0.0351
Loa Loa (eye worm) hypothetical protein 0.0073 0.1485 0.3563
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.012 0.0124
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0597 0.0646
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.012 0.0274
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1096 0.1192
Loa Loa (eye worm) hypothetical protein 0.0005 0.0019 0.0029
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.012 0.0124
Mycobacterium tuberculosis Conserved protein 0.0073 0.1485 0.1168
Echinococcus granulosus tar DNA binding protein 0.0197 0.4157 0.4538
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.1485 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0052 0.0351
Loa Loa (eye worm) hypothetical protein 0.0101 0.2093 0.5027
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.012 0.0124
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.1485 0.1617
Schistosoma mansoni hypothetical protein 0.0032 0.0597 0.0646
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0106 0.0109
Mycobacterium tuberculosis Probable lipase LipD 0.0073 0.1485 0.1168
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0052 0.0351
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.012 0.0124
Echinococcus multilocularis tar DNA binding protein 0.0197 0.4157 0.4538
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.0818 1
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.0274
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.0274
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0006 0.0025 0.002
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1096 0.1192
Echinococcus granulosus FTZ F1 alpha 0.001 0.012 0.0124
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0066 0.0065
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0157 0.3293 0.3594
Echinococcus multilocularis geminin 0.0344 0.7318 0.7995
Mycobacterium tuberculosis Conserved protein 0.0073 0.1485 0.1168
Onchocerca volvulus 0.0073 0.1485 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.012 0.0274
Schistosoma mansoni thyroid hormone receptor 0.001 0.012 0.0124
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0103 0.0233
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.0901 0.4817
Toxoplasma gondii ABC1 family protein 0.0073 0.1485 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0052 0.0351
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.012 0.0274
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0019 0.0029
Loa Loa (eye worm) hypothetical protein 0.0073 0.1485 0.3563
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.012 0.0274
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.0019 0.0013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.012 0.0274
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1096 0.1192
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0597 0.0646
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.012 0.0124
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0073 0.1485 0.1168
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.012 0.0124
Brugia malayi beta-lactamase 0.0073 0.1485 0.3563
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.012 0.0274
Schistosoma mansoni nuclear hormone receptor 0.001 0.012 0.0124
Loa Loa (eye worm) hypothetical protein 0.0005 0.0019 0.0029
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.1485 1
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0359 0.2417
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0073 0.1485 0.3563
Loa Loa (eye worm) hypothetical protein 0.0005 0.0019 0.0029
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0046 0.0901 0.607
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0073 0.1485 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0073 0.1485 0.1617
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1096 0.2625
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0052 0.0351
Schistosoma mansoni hypothetical protein 0.0344 0.7318 0.7995
Brugia malayi Bromodomain containing protein 0.0006 0.0025 0.0045
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1096 0.1192
Loa Loa (eye worm) TAR-binding protein 0.0197 0.4157 1
Brugia malayi Steroid receptor seven-up type 2 0.001 0.012 0.0274
Mycobacterium ulcerans esterase/lipase LipP 0.0073 0.1485 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.012 0.0124
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0006 0.0025 0.002
Plasmodium vivax hypothetical protein, conserved 0.0073 0.1485 1
Echinococcus granulosus cpg binding protein 0.0032 0.0591 0.0639
Mycobacterium tuberculosis Probable esterase LipL 0.0073 0.1485 0.1168
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0052 0.0351
Echinococcus granulosus geminin 0.0344 0.7318 0.7995
Schistosoma mansoni tar DNA-binding protein 0.0197 0.4157 0.4538
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.012 0.0768
Schistosoma mansoni tar DNA-binding protein 0.0197 0.4157 0.4538
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.012 0.0274
Loa Loa (eye worm) hypothetical protein 0.0073 0.1485 0.3563
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.012 0.0274
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0359 0.0385
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.0274
Mycobacterium tuberculosis Probable hydrolase 0.0073 0.1485 0.1168
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.012 0.0124
Brugia malayi hypothetical protein 0.0005 0.0019 0.0029
Mycobacterium leprae Probable lipase LipE 0.0073 0.1485 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.012 0.0274
Brugia malayi nuclear hormone receptor 0.001 0.012 0.0274
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0597 0.1423
Echinococcus multilocularis zinc finger protein 0.0006 0.0025 0.002
Echinococcus granulosus histone acetyltransferase KAT2B 0.0153 0.3198 0.349
Brugia malayi ecdysteroid receptor 0.001 0.012 0.0274
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0019 0.0029
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1096 0.1192
Trichomonas vaginalis helicase, putative 0.0007 0.0052 0.0351
Mycobacterium ulcerans lipase LipD 0.0073 0.1485 1
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.0274
Schistosoma mansoni hypothetical protein 0.0032 0.0597 0.0646
Loa Loa (eye worm) hypothetical protein 0.0073 0.1485 0.3563
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0052 0.0351
Echinococcus multilocularis cpg binding protein 0.0032 0.0591 0.0639
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0052 0.0351
Loa Loa (eye worm) hypothetical protein 0.0073 0.1485 0.3563
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0359 0.0385
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0052 0.0351
Loa Loa (eye worm) steroid hormone receptor 0.001 0.012 0.0274
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.012 0.0124
Onchocerca volvulus 0.0073 0.1485 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.012 0.0274
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0597 0.1423
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.0274
Brugia malayi PHD-finger family protein 0.0006 0.0025 0.0045
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0106 0.0109
Trichomonas vaginalis D-aminoacylase, putative 0.0073 0.1485 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.012 0.0274
Echinococcus granulosus zinc finger protein 0.0006 0.0025 0.002
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0359 0.5
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.0818 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0025 0.0045
Trichomonas vaginalis penicillin-binding protein, putative 0.0073 0.1485 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1096 0.2625
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.012 0.0124
Schistosoma mansoni tar DNA-binding protein 0.0197 0.4157 0.4538
Onchocerca volvulus Bile acid receptor homolog 0.001 0.012 0.0768
Loa Loa (eye worm) acetyltransferase 0.0157 0.3293 0.7919
Brugia malayi CXXC zinc finger family protein 0.003 0.0554 0.132
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0597 0.0646
Echinococcus granulosus beta LACTamase domain containing family member 0.0073 0.1485 0.1617
Loa Loa (eye worm) beta-lactamase 0.0073 0.1485 0.3563
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0066 0.0065
Brugia malayi acetyltransferase, GNAT family protein 0.0157 0.3293 0.7919
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0066 0.0065
Brugia malayi nuclear receptor RXR 0.0005 0.0019 0.0029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.012 0.0274
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0052 0.0351
Mycobacterium ulcerans hypothetical protein 0.0073 0.1485 1
Mycobacterium tuberculosis Probable lipase LipE 0.0073 0.1485 0.1168
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.012 0.0274
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.012 0.0768
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.012 0.0124
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.1401 0.3359
Schistosoma mansoni zinc finger protein 0.0006 0.0025 0.002
Loa Loa (eye worm) RNA binding protein 0.0197 0.4157 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1096 0.1192
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0106 0.024
Schistosoma mansoni hypothetical protein 0.0429 0.9152 1
Onchocerca volvulus 0.0073 0.1485 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0052 0.0351
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0359 0.5
Schistosoma mansoni hypothetical protein 0.0069 0.1401 0.1524
Trypanosoma cruzi hypothetical protein, conserved 0.0073 0.1485 1
Trichomonas vaginalis esterase, putative 0.0073 0.1485 1
Schistosoma mansoni coup transcription factor 0.001 0.012 0.0124
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.0274
Echinococcus granulosus GPCR family 2 0.0032 0.0597 0.0646
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0052 0.0351
Onchocerca volvulus 0.003 0.0554 0.3705
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0052 0.0351
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0597 0.0646
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1096 0.1192
Schistosoma mansoni cpg binding protein 0.0032 0.0591 0.0639
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.0019 0.0013
Brugia malayi steroid hormone receptor 0.001 0.012 0.0274
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.0901 0.6064
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0197 0.4157 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.012 0.0124
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.012 0.0124
Loa Loa (eye worm) hypothetical protein 0.001 0.012 0.0274
Brugia malayi nuclear receptor NHR-88 0.001 0.012 0.0274
Schistosoma mansoni thyroid hormone receptor 0.001 0.012 0.0124
Loa Loa (eye worm) hypothetical protein 0.0005 0.0019 0.0029
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0066 0.0065
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.0818 1
Trypanosoma brucei hypothetical protein, conserved 0.0073 0.1485 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0052 0.0351
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0073 0.1485 0.1168
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0073 0.1485 0.1617
Brugia malayi RNA binding protein 0.0197 0.4157 1
Mycobacterium ulcerans beta-lactamase 0.0073 0.1485 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 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) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 10.3225 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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

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

No literature references available for this target.

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