Detailed information for compound 1201492

Basic information

Technical information
  • TDR Targets ID: 1201492
  • Name: N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(4 -methylpiperazin-1-yl)thieno[5,4-d]pyrimidine -6-carboxamide
  • MW: 413.512 | Formula: C21H24FN5OS
  • H donors: 1 H acceptors: 3 LogP: 4.22 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)c1nc(C)nc2c1c(C)c(s2)C(=O)Nc1ccc(c(c1)F)C
  • InChi: 1S/C21H24FN5OS/c1-12-5-6-15(11-16(12)22)25-20(28)18-13(2)17-19(23-14(3)24-21(17)29-18)27-9-7-26(4)8-10-27/h5-6,11H,7-10H2,1-4H3,(H,25,28)
  • InChiKey: ZSXLRXQCIPPUBL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[5,4-d]pyrimidine-6-carboxamide
  • N-(3-fluoro-4-methylphenyl)-2,5-dimethyl-4-(4-methyl-1-piperazinyl)-6-thieno[5,4-d]pyrimidinecarboxamide
  • Oprea1_143771
  • MLS000521232
  • SMR000131640

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0036 0.0119
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0215 0.082
Echinococcus granulosus zinc finger protein 0.002 0.0177 0.0677
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0191 0.0633
Leishmania major hypothetical protein, conserved 0.0072 0.0831 1
Echinococcus granulosus FTZ F1 alpha 0.001 0.0061 0.0233
Loa Loa (eye worm) hypothetical protein 0.0072 0.0831 0.2758
Mycobacterium tuberculosis Probable esterase LipL 0.0072 0.0831 0.0759
Loa Loa (eye worm) hypothetical protein 0.0043 0.0467 0.1551
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0036 0.0137
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0061 0.0233
Schistosoma mansoni hypothetical protein 0.0019 0.0171 0.0651
Schistosoma mansoni hypothetical protein 0.0043 0.0477 0.1821
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0061 0.0233
Brugia malayi hypothetical protein 0.0043 0.0477 0.1583
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0061 0.0203
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0104 0.1235 0.1235
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0681 0.0681
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0061 0.0203
Brugia malayi beta-lactamase family protein 0.0072 0.0831 0.2758
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0061 0.0203
Schistosoma mansoni smad1 5 8 and 0.0008 0.0036 0.0137
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0491 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0104 0.1235 0.4099
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0061 0.0233
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0383 0.0383
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0458 0.5676 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0061 0.0203
Loa Loa (eye worm) hypothetical protein 0.0041 0.0448 0.1487
Brugia malayi MH1 domain containing protein 0.0008 0.0036 0.0119
Schistosoma mansoni hypothetical protein 0.017 0.2059 0.7863
Brugia malayi Smad1 0.0008 0.0036 0.0119
Echinococcus multilocularis smad 0.0008 0.0036 0.0036
Loa Loa (eye worm) beta-lactamase 0.0072 0.0831 0.2758
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0061 0.0061
Schistosoma mansoni smad 0.0008 0.0036 0.0137
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0831 0.3172
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0491 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0215 0.0215
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0448 0.1487
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0171 0.0566
Schistosoma mansoni smad1 5 8 and 0.0008 0.0036 0.0137
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0477 0.1821
Loa Loa (eye worm) hypothetical protein 0.001 0.0061 0.0203
Brugia malayi MH2 domain containing protein 0.0008 0.0036 0.0119
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0491 0.52
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0061 0.0203
Loa Loa (eye worm) hypothetical protein 0.0041 0.0443 0.1471
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0061 0.0233
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0831 0.1152
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0146 0.0556
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0104 0.1235 0.4099
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0215 0.082
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0061 0.0203
Echinococcus granulosus geminin 0.017 0.2059 0.7863
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0061 0.0061
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0171 0.0651
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0061 0.0203
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0061 0.0061
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0104 0.1235 0.4715
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0477 0.1821
Echinococcus granulosus histone lysine methyltransferase setb 0.0052 0.0588 0.2244
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0491 0.1876
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0061 0.0203
Brugia malayi RNA recognition motif domain containing protein 0.0214 0.2619 0.8694
Schistosoma mansoni hypothetical protein 0.0019 0.0171 0.0651
Schistosoma mansoni thyroid hormone receptor 0.001 0.0061 0.0233
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0061 0.0233
Schistosoma mansoni hypothetical protein 0.0019 0.0171 0.0651
Loa Loa (eye worm) TAR-binding protein 0.0214 0.2619 0.8694
Brugia malayi MH1 domain containing protein 0.0008 0.0036 0.0119
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0061 0.0233
Loa Loa (eye worm) hypothetical protein 0.0072 0.0831 0.2758
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0687 0.2281
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0061 0.0233
Mycobacterium tuberculosis Probable lipase LipE 0.0072 0.0831 0.0759
Toxoplasma gondii ABC1 family protein 0.0072 0.0831 1
Brugia malayi steroid hormone receptor 0.001 0.0061 0.0203
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0061 0.0203
Brugia malayi MH2 domain containing protein 0.0122 0.1461 0.4852
Schistosoma mansoni hypothetical protein 0.0015 0.0124 0.0472
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.1461 0.4852
Loa Loa (eye worm) hypothetical protein 0.001 0.0061 0.0203
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0061 0.0203
Mycobacterium ulcerans esterase/lipase LipP 0.0072 0.0831 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0491 0.52
Echinococcus granulosus smad 0.0008 0.0036 0.0137
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0061 0.0233
Brugia malayi TAR-binding protein 0.0214 0.2619 0.8694
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0104 0.1235 0.4715
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0831 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0052 0.0588 0.0588
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0491 0.2578
Loa Loa (eye worm) Smad1 0.0008 0.0036 0.0119
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0061 0.0203
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0146 0.0556
Mycobacterium tuberculosis Conserved protein 0.0072 0.0831 0.0759
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0061 0.0061
Onchocerca volvulus 0.0279 0.3438 1
Brugia malayi PHD-finger family protein 0.0025 0.0244 0.0811
Schistosoma mansoni coup transcription factor 0.001 0.0061 0.0233
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0072 0.0831 0.0759
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0061 0.0203
Loa Loa (eye worm) hypothetical protein 0.0072 0.0831 0.2758
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.001 0.0061 0.0203
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0061 0.0233
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0061 0.0233
Brugia malayi RNA binding protein 0.0214 0.2619 0.8694
Onchocerca volvulus 0.0035 0.0373 0.0925
Mycobacterium tuberculosis Probable hydrolase 0.0072 0.0831 0.0759
Mycobacterium leprae Probable lipase LipE 0.0072 0.0831 1
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0831 1
Mycobacterium ulcerans hypothetical protein 0.0072 0.0831 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0104 0.1235 0.4715
Loa Loa (eye worm) hypothetical protein 0.0038 0.0413 0.1372
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0373 0.1426
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0171 0.0171
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0357 0.1364
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0104 0.1235 0.4715
Schistosoma mansoni zinc finger protein 0.0015 0.0124 0.0472
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0061 0.0203
Schistosoma mansoni tar DNA-binding protein 0.0214 0.2619 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0831 0.2758
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0373 0.1426
Schistosoma mansoni tar DNA-binding protein 0.0214 0.2619 1
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0831 0.1152
Brugia malayi Pre-SET motif family protein 0.0245 0.3012 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0061 0.0203
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0036 0.0036
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0061 0.0203
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0491 0.0491
Mycobacterium ulcerans beta-lactamase 0.0072 0.0831 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0061 0.0233
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0061 0.0061
Brugia malayi ecdysteroid receptor 0.001 0.0061 0.0203
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0171 0.0566
Echinococcus granulosus tar DNA binding protein 0.0214 0.2619 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.0588 0.2244
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0104 0.1235 0.4715
Schistosoma mansoni hypothetical protein 0.0019 0.0171 0.0651
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0373 0.0373
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0146 0.0556
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0061 0.0233
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0831 0.1152
Trichomonas vaginalis esterase, putative 0.0072 0.0831 0.1152
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0245 0.3012 1
Schistosoma mansoni tar DNA-binding protein 0.0214 0.2619 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0061 0.0233
Loa Loa (eye worm) hypothetical protein 0.006 0.0687 0.2281
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0036 0.0137
Onchocerca volvulus 0.0072 0.0831 0.2279
Loa Loa (eye worm) hypothetical protein 0.0071 0.082 0.2721
Brugia malayi Inositol-1 0.0045 0.0491 0.1631
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0061 0.0203
Mycobacterium tuberculosis Conserved protein 0.0072 0.0831 0.0759
Brugia malayi beta-lactamase family protein 0.0072 0.0831 0.2758
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0036 0.0036
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.0588 0.2244
Onchocerca volvulus 0.0072 0.0831 0.2279
Loa Loa (eye worm) hypothetical protein 0.0072 0.0831 0.2758
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0036 0.0137
Echinococcus granulosus GPCR family 2 0.0019 0.0171 0.0651
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0491 0.52
Schistosoma mansoni bromodomain containing protein 0.0063 0.0726 0.2773
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.0831 0.2758
Loa Loa (eye worm) hypothetical protein 0.001 0.0061 0.0203
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0061 0.0061
Echinococcus multilocularis beta LACTamase domain containing family member 0.0072 0.0831 0.0831
Echinococcus multilocularis GPCR, family 2 0.0019 0.0171 0.0171
Brugia malayi Pre-SET motif family protein 0.0035 0.0373 0.124
Schistosoma mansoni Smad4 0.0008 0.0036 0.0137
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0831 0.1152
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0072 0.0831 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0588 0.1951
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0061 0.0203
Brugia malayi Bromodomain containing protein 0.0075 0.0873 0.2899
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0477 0.0477
Brugia malayi nuclear receptor NHR-88 0.001 0.0061 0.0203
Onchocerca volvulus 0.0072 0.0831 0.2279
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0061 0.0203
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0687 0.2281
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0061 0.0061
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0383 0.1462
Schistosoma mansoni inositol monophosphatase 0.0045 0.0491 0.1876
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0061 0.0203
Schistosoma mansoni zinc finger protein 0.002 0.0177 0.0677
Loa Loa (eye worm) hypothetical protein 0.0019 0.0171 0.0566
Schistosoma mansoni inositol monophosphatase 0.0045 0.0491 0.1876
Loa Loa (eye worm) hypothetical protein 0.001 0.0061 0.0203
Mycobacterium ulcerans lipase LipD 0.0072 0.0831 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0036 0.0119
Schistosoma mansoni tar DNA-binding protein 0.0214 0.2619 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0061 0.0203
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0061 0.0233
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0687 0.2281
Loa Loa (eye worm) hypothetical protein 0.0072 0.0831 0.2758
Trypanosoma brucei hypothetical protein, conserved 0.0072 0.0831 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0171 0.0171
Echinococcus granulosus beta LACTamase domain containing family member 0.0072 0.0831 0.3172
Brugia malayi MH2 domain containing protein 0.0008 0.0036 0.0119
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0171 0.0566
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0061 0.0233
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0061 0.0203
Loa Loa (eye worm) inositol-1 0.0045 0.0491 0.1631
Schistosoma mansoni tar DNA-binding protein 0.0214 0.2619 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0061 0.0203
Echinococcus multilocularis zinc finger protein 0.002 0.0177 0.0177
Mycobacterium tuberculosis Probable lipase LipD 0.0072 0.0831 0.0759
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0061 0.0233
Trichomonas vaginalis set domain proteins, putative 0.0279 0.3438 1
Schistosoma mansoni nuclear hormone receptor 0.001 0.0061 0.0233
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0171 0.0651
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0831 0.3172
Schistosoma mansoni thyroid hormone receptor 0.001 0.0061 0.0233
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0681 0.2601
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0061 0.0203
Brugia malayi beta-lactamase 0.0072 0.0831 0.2758
Loa Loa (eye worm) RNA binding protein 0.0214 0.2619 0.8694
Schistosoma mansoni hypothetical protein 0.017 0.2059 0.7863
Mycobacterium tuberculosis Conserved protein 0.0072 0.0831 0.0759
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0831 0.1152
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0061 0.0203
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0072 0.0831 0.0759
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0061 0.0061
Echinococcus multilocularis tar DNA binding protein 0.0214 0.2619 0.2619
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.0831 0.2758
Brugia malayi Bromodomain containing protein 0.0038 0.0412 0.1369
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0072 0.0831 0.0759
Echinococcus multilocularis geminin 0.017 0.2059 0.2059
Schistosoma mansoni smad1 5 8 and 0.0008 0.0036 0.0137
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0491 0.52
Schistosoma mansoni hypothetical protein 0.0021 0.0191 0.0728
Loa Loa (eye worm) hypothetical protein 0.001 0.0061 0.0203
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0214 0.2619 0.8694
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0146 0.0146
Plasmodium vivax hypothetical protein, conserved 0.0072 0.0831 1
Echinococcus granulosus Smad4 0.0008 0.0036 0.0137
Brugia malayi nuclear hormone receptor 0.001 0.0061 0.0203
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0153 0.0509
Mycobacterium leprae conserved hypothetical protein 0.0072 0.0831 1
Schistosoma mansoni hypothetical protein 0.0041 0.0448 0.1711
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0061 0.0233
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0061 0.0203
Loa Loa (eye worm) hypothetical protein 0.001 0.0061 0.0203
Echinococcus multilocularis Smad4 0.0008 0.0036 0.0036
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0104 0.1235 0.1235
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.1461 0.4852

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 11.5821 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 19.9526 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) 20.5962 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) 20.5962 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) 29.0929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) 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.
 
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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