Detailed information for compound 1434658

Basic information

Technical information
  • TDR Targets ID: 1434658
  • Name: N-methyl-4-[[4-[4-methyl-3-(oxolan-2-ylmethyl sulfamoyl)phenyl]phthalazin-1-yl]amino]benzam ide
  • MW: 531.626 | Formula: C28H29N5O4S
  • H donors: 3 H acceptors: 5 LogP: 3.65 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CNC(=O)c1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(c(c1)S(=O)(=O)NCC1CCCO1)C
  • InChi: 1S/C28H29N5O4S/c1-18-9-10-20(16-25(18)38(35,36)30-17-22-6-5-15-37-22)26-23-7-3-4-8-24(23)27(33-32-26)31-21-13-11-19(12-14-21)28(34)29-2/h3-4,7-14,16,22,30H,5-6,15,17H2,1-2H3,(H,29,34)(H,31,33)
  • InChiKey: XLNZXAGOPMVYJK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-methyl-4-[[4-[4-methyl-3-(tetrahydrofuran-2-ylmethylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzamide
  • N-methyl-4-[[4-[4-methyl-3-(2-tetrahydrofuranylmethylsulfamoyl)phenyl]-1-phthalazinyl]amino]benzamide
  • N-methyl-4-[[4-[4-methyl-3-(tetrahydrofurfurylsulfamoyl)phenyl]phthalazin-1-yl]amino]benzamide
  • N-Methyl-4-(4-{4-methyl-3-[(tetrahydro-furan-2-ylmethyl)-sulfamoyl]-phenyl}-phthalazin-1-ylamino)-benzamide
  • SMR000217591
  • STK063977
  • MLS000590556

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
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
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 guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
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
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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
Echinococcus multilocularis GPCR, family 2 0.0019 0.0014 0.0339
Trypanosoma brucei protein kinase, putative 0.005 0.0046 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0037 0.1449
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.0253 1
Echinococcus multilocularis muscleblind protein 1 0.018 0.0179 0.4346
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0032 0.1577
Loa Loa (eye worm) hypothetical protein 0.0019 0.0014 0.0553
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0032 0.078
Echinococcus multilocularis glutamate receptor 2 0.0013 0.0007 0.018
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0002 0.0101
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.0024 0.0021
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0113 0.011 0.2664
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0032 0.1577
Loa Loa (eye worm) hypothetical protein 0.018 0.0179 0.7094
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0007 0.0002 0.005
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0008 0.0003 0.0075
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0294
Echinococcus granulosus metabotropic glutamate receptor 2 0.0113 0.011 0.2664
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0003 0.0016
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.0006 0.0135
Echinococcus granulosus glutamate receptor 2 0.0013 0.0007 0.018
Loa Loa (eye worm) RGC/RGC protein kinase 0.0013 0.0007 0.0294
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0.0024 1
Echinococcus granulosus atrial natriuretic peptide receptor 0.0013 0.0007 0.018
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0006 0.0273
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0014 0.0339
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.003 0.0986
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0014 0.0339
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.0005 0.0228
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0015 0.0013
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0013 0.0007 0.018
Echinococcus multilocularis receptor type guanylyl cyclase 0.0013 0.0007 0.018
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0003 0.0001
Loa Loa (eye worm) hypothetical protein 0.018 0.0179 0.7094
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0014 0.0339
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0046 0.2261
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0016 0.0014
Loa Loa (eye worm) hypothetical protein 0.0008 0.0003 0.0122
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0032 0.078
Echinococcus multilocularis hyperpolarization activated cyclic 0.0007 0.0002 0.005
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0003 0.0122
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0013 0.0007 0.018
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.0006 0.0135
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0046 0.1119
Brugia malayi MH1 domain containing protein 0.0008 0.0003 0.0111
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.0071 0.3488
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0024 0.5158
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0046 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.0033 0.0795
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0003 0.0016
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0013 0.0007 0.018
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0003 0.0122
Onchocerca volvulus 0.0013 0.0007 0.0152
Echinococcus multilocularis mixed lineage leukemia protein mll 0.001 0.0005 0.0113
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0003 0.0016
Echinococcus multilocularis tyrosine kinase 0.0013 0.0007 0.018
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0029 0.0024 0.0021
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0003 0.0111
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0003 0.0016
Loa Loa (eye worm) glutamate receptor 0.0134 0.0132 0.5233
Mycobacterium ulcerans hypothetical protein 0.0029 0.0024 0.0021
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0008 0.0003 0.0001
Leishmania major acetyl-CoA synthetase, putative 0.0008 0.0003 0.0668
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0037 0.1449
Echinococcus granulosus receptor type guanylyl cyclase 0.0013 0.0007 0.018
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0007 0.0002 0.005
Trichomonas vaginalis set domain proteins, putative 0.0287 0.0288 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.0063 1
Echinococcus granulosus tyrosine kinase 0.0013 0.0007 0.018
Loa Loa (eye worm) hypothetical protein 0.006 0.0056 0.2222
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0024 0.5158
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0013 0.0007 0.018
Loa Loa (eye worm) hypothetical protein 0.0029 0.0024 0.0942
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0013 0.0007 0.0294
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0046 0.154
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.9771 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0016 0.0648
Entamoeba histolytica hypothetical protein 0.0013 0.0007 0.2096
Onchocerca volvulus 0.006 0.0056 0.1843
Schistosoma mansoni Smad4 0.0008 0.0003 0.0138
Onchocerca volvulus 0.0013 0.0007 0.0152
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0007 0.0165
Brugia malayi MH2 domain containing protein 0.0008 0.0003 0.0111
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0024 0.0942
Onchocerca volvulus Poor gastrulation protein homolog 0.0022 0.0017 0.0482
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0005 0.0113
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0024 0.5158
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0008 0.0003 0.0075
Echinococcus granulosus metabotropic glutamate receptor 5 0.0166 0.0164 0.3978
Brugia malayi Pre-SET motif family protein 0.0037 0.0032 0.1273
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0008 0.0003 0.1882
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0003 0.0016
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.003 0.1187
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0046 1
Echinococcus granulosus glutamate receptor 2 0.0013 0.0007 0.018
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0007 0.0002 0.0101
Brugia malayi metabotropic glutamate receptor type 2 0.0066 0.0062 0.2438
Loa Loa (eye worm) hypothetical protein 0.0007 0.0002 0.0081
Brugia malayi follicle stimulating hormone receptor 0.0234 0.0234 0.9271
Loa Loa (eye worm) hypothetical protein 0.0123 0.012 0.4749
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0032 0.078
Brugia malayi CXXC zinc finger family protein 0.0035 0.003 0.1187
Echinococcus granulosus cpg binding protein 0.0037 0.0032 0.0776
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0022 0.0017 0.0482
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0024 0.0022
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0007 0.0002 0.005
Brugia malayi MAP kinase sur-1 0.005 0.0046 0.1826
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0032 0.1577
Brugia malayi Receptor family ligand binding region containing protein 0.0013 0.0007 0.0294
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0007 0.0002 0.005
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0013 0.0007 0.018
Brugia malayi Guanylyl cyclase protein 23 0.0013 0.0007 0.0294
Echinococcus multilocularis cpg binding protein 0.0037 0.0032 0.0776
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0.0003 0.0036
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0013 0.0007 0.0152
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.0033 0.1297
Mycobacterium ulcerans transcriptional regulator 0.9771 1 1
Echinococcus multilocularis glutamate receptor 2 0.0013 0.0007 0.018
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0006 0.0001 0.0045
Loa Loa (eye worm) hypothetical protein 0.0123 0.012 0.4749
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0003 0.0016
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0051 0.1238
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0003 0.0016
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0003 0.0016
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0003 0.0016
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.0117 0.4623
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0056 0.2727
Brugia malayi MH1 domain containing protein 0.0008 0.0003 0.0111
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0008 0.0003 0.0488
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0007 0.0165
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0024 0.0021
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0008 0.0003 0.0122
Echinococcus multilocularis geminin 0.0205 0.0204 0.4948
Echinococcus multilocularis smad 0.0008 0.0003 0.0068
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0056 0.2222
Plasmodium vivax SET domain protein, putative 0.0037 0.0032 1
Echinococcus multilocularis muscleblind protein 0.018 0.0179 0.4346
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.003 0.0728
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0034 0.003 0.1179
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0051 0.1238
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0051 0.2502
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0294
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0008 0.0003 0.0668
Loa Loa (eye worm) glutamate receptor 0.0053 0.0049 0.1926
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0003 0.0016
Echinococcus granulosus hyperpolarization activated cyclic 0.0007 0.0002 0.005
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0015 0.0013
Schistosoma mansoni 60S ribosomal protein L21 0.0006 0.0001 0.0025
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0.0024 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0024 0.0021
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0032 0.5096
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0013 0.0007 0.0294
Loa Loa (eye worm) RGC/RGC protein kinase 0.0013 0.0007 0.0294
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0046 0.154
Mycobacterium ulcerans AcrR family transcriptional regulator 0.9771 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0056 0.2222
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0003 0.0001
Echinococcus granulosus smad 0.0008 0.0003 0.0068
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0003 0.0016
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0046 0.1826
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0003 0.0016
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.0006 0.0135
Echinococcus granulosus geminin 0.0205 0.0204 0.4948
Trypanosoma cruzi extracellular receptor, putative 0.0013 0.0007 0.1008
Echinococcus granulosus GPCR family 2 0.0019 0.0014 0.0339
Schistosoma mansoni hypothetical protein 0.0019 0.0014 0.0685
Echinococcus granulosus Smad4 0.0008 0.0003 0.0068
Echinococcus granulosus hyperpolarization activated cyclic 0.0007 0.0002 0.005
Onchocerca volvulus 0.0287 0.0288 1
Schistosoma mansoni cpg binding protein 0.0037 0.0032 0.1569
Loa Loa (eye worm) histone methyltransferase 0.0012 0.0007 0.027
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0051 0.1238
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0056 0.2222
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0008 0.0003 0.0001
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0022 0.0017 0.0666
Onchocerca volvulus Huntingtin homolog 0.0123 0.012 0.41
Loa Loa (eye worm) hypothetical protein 0.0029 0.0024 0.0942
Schistosoma mansoni smad1 5 8 and 0.0008 0.0003 0.0138
Leishmania major acetyl-CoA synthetase, putative 0.0008 0.0003 0.0668
Loa Loa (eye worm) hypothetical protein 0.006 0.0056 0.2202
Loa Loa (eye worm) hypothetical protein 0.0021 0.0016 0.0648
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0013 0.0007 0.018
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.0033 0.0795
Echinococcus multilocularis GPCR, family 3, C terminal 0.0022 0.0017 0.0408
Echinococcus granulosus GPCR family 3 C terminal 0.0022 0.0017 0.0408
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0294
Brugia malayi Smad1 0.0008 0.0003 0.0111
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0008 0.0003 0.0001
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0002 0.0101
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0046 1
Schistosoma mansoni glutamate receptor NMDA 0.0013 0.0007 0.0364
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0013 0.0007 0.018
Loa Loa (eye worm) hypothetical protein 0.0021 0.0016 0.0648
Schistosoma mansoni hypothetical protein 0.0205 0.0204 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0003 0.0001
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0294
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0046 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0029 0.0024 0.0021
Schistosoma mansoni hypothetical protein 0.0022 0.0017 0.0825
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0046 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0003 0.0122
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0.0003 0.0036
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0153 0.0151 0.7404
Brugia malayi Metabotropic glutamate receptor precursor. 0.0134 0.0132 0.5233
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0008 0.0003 0.0001
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0003 0.0016
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0046 0.1119
Loa Loa (eye worm) hypothetical protein 0.0166 0.0164 0.6492
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0024 0.0942
Schistosoma mansoni hypothetical protein 0.0019 0.0014 0.0685
Schistosoma mansoni protein kinase 0.0013 0.0007 0.0364
Echinococcus granulosus nmda type glutamate receptor 0.0013 0.0007 0.018
Onchocerca volvulus 0.0035 0.003 0.0944
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.003 0.0986
Loa Loa (eye worm) oxidoreductase 0.0008 0.0003 0.0122
Echinococcus granulosus muscleblind protein 0.018 0.0179 0.4346
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0046 0.7309
Onchocerca volvulus 0.0037 0.0032 0.102
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0003 0.0016
Brugia malayi Muscleblind-like protein 0.018 0.0179 0.7094
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0051 0.1238
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0003 0.0001
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0008 0.0003 0.0488
Schistosoma mansoni smad1 5 8 and 0.0008 0.0003 0.0138
Schistosoma mansoni metabotropic glutamate receptor 0.0113 0.011 0.5384
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0003 0.0111
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0008 0.0003 0.0001
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0013 0.0007 0.018
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.0016 0.0013
Mycobacterium ulcerans TetR family transcriptional regulator 0.9771 1 1
Leishmania major extracellular receptor, putative 0.0013 0.0007 0.1609
Echinococcus multilocularis nmda type glutamate receptor 0.0013 0.0007 0.018
Toxoplasma gondii propionate-CoA ligase 0.0008 0.0003 0.0488
Echinococcus multilocularis tumor protein p63 0.0408 0.0412 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0007 0.0002 0.005
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0029 0.0024 0.0021
Brugia malayi Pre-SET motif family protein 0.0252 0.0253 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0024 0.0942
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.0016 0.4573
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0003 0.0016
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0007 0.0002 0.005
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0034 0.003 0.1179
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0051 0.202
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0122 0.0119 0.472
Schistosoma mansoni cpg binding protein 0.0037 0.0032 0.1569
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0046 0.1119
Entamoeba histolytica acyl-coA synthetase, putative 0.0029 0.0024 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0051 0.2502
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0008 0.0003 0.0122
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0014 0.0553
Brugia malayi hypothetical protein 0.0123 0.012 0.4749
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0014 0.0553
Schistosoma mansoni hypothetical protein 0.0019 0.0014 0.0685
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0003 0.0068
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.0016 0.5
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.0016 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0007 0.0002 0.0081
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.0024 0.0021
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.0033 0.1297
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0294
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0003 0.0016
Schistosoma mansoni hypothetical protein 0.0019 0.0014 0.0685
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0007 0.0002 0.0101
Loa Loa (eye worm) hypothetical protein 0.0034 0.003 0.1179
Echinococcus multilocularis Smad4 0.0008 0.0003 0.0068
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0003 0.0068
Echinococcus granulosus tumor protein p63 0.0408 0.0412 1
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0002 0.0101
Giardia lamblia Kinase, CMGC MAPK 0.005 0.0046 0.5
Schistosoma mansoni tyrosine kinase 0.0013 0.0007 0.0364
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0015 0.0013
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0015 0.0013
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.0006 0.0221
Onchocerca volvulus Huntingtin homolog 0.0123 0.012 0.41
Schistosoma mansoni hypothetical protein 0.0205 0.0204 1
Schistosoma mansoni acetyl-CoA synthetase 0.0008 0.0003 0.0151
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0024 0.0021
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0005 0.0113
Schistosoma mansoni tyrosine kinase 0.0013 0.0007 0.0364
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0007 0.0002 0.0101
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0003 0.0016
Echinococcus granulosus voltage gated potassium channel 0.0011 0.0006 0.0135
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0006 0.0273
Brugia malayi hypothetical protein 0.0013 0.0007 0.0294
Schistosoma mansoni smad1 5 8 and 0.0008 0.0003 0.0138
Loa Loa (eye worm) hypothetical protein 0.0021 0.0016 0.0648
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0294
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0046 0.1119
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0014 0.0339
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0008 0.0003 0.0001
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0013 0.0007 0.018
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0007 0.0002 0.0081
Loa Loa (eye worm) RGC/RGC protein kinase 0.0013 0.0007 0.0294
Loa Loa (eye worm) hypothetical protein 0.0021 0.0016 0.0648
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0003 0.0122
Echinococcus granulosus mixed lineage leukemia protein mll 0.001 0.0005 0.0113
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0032 0.1577
Loa Loa (eye worm) Smad1 0.0008 0.0003 0.0111
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0029 0.0024 0.0022
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0003 0.0068
Brugia malayi Cyclic-nucleotide gated cation channel 0.0007 0.0002 0.0081
Schistosoma mansoni cpg binding protein 0.0035 0.003 0.147
Brugia malayi Receptor family ligand binding region containing protein 0.0034 0.003 0.1179
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0007 0.0264
Brugia malayi MH2 domain containing protein 0.0008 0.0003 0.0111
Loa Loa (eye worm) hypothetical protein 0.0037 0.0032 0.1273
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0046 0.154
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.0117 0.4623
Onchocerca volvulus 0.0029 0.0024 0.0726
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0166 0.0164 0.3978
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0046 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0003 0.0068
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.0024 0.0021
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0051 0.202
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0234 0.0234 0.9271
Brugia malayi MH2 domain containing protein 0.0119 0.0117 0.4623
Schistosoma mansoni voltage-gated potassium channel 0.0006 0.0001 0.0025
Schistosoma mansoni smad 0.0008 0.0003 0.0138
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0046 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0046 0.154
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0051 0.2502
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0008 0.0003 0.0122
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0008 0.0003 0.0122
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0007 0.0002 0.005
Loa Loa (eye worm) hypothetical protein 0.0032 0.0028 0.1097
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0014 0.0553
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.0036 0.1779
Loa Loa (eye worm) hypothetical protein 0.0022 0.0017 0.0666
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0008 0.0003 0.0001
Loa Loa (eye worm) hypothetical protein 0.0011 0.0006 0.0221
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0003 0.0138
Trichomonas vaginalis helicase, putative 0.0008 0.0003 0.0016
Schistosoma mansoni hypothetical protein 0.0041 0.0037 0.1795
Schistosoma mansoni metabotropic glutamate receptor 0.0066 0.0062 0.3019
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.0036 0.1779
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0003 0.0122
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0007 0.0002 0.005
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0294
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0024 0.0942

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0928 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) 5.2213 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) 8.9125 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
Potency (binding) 10 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) 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) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 18.3564 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) 19.9526 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) 21.3349 uM PubChem BioAssay. qHTS for Inhibitors of the Phosphatase Activity of Eya2: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 25.929 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) = 28.1838 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 Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum 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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