Detailed information for compound 1253651

Basic information

Technical information
  • TDR Targets ID: 1253651
  • Name: 6-chloro-N-(2-chlorophenyl)-1-methylpyrazolo[ 4,5-e]pyrimidin-4-amine
  • MW: 294.139 | Formula: C12H9Cl2N5
  • H donors: 1 H acceptors: 3 LogP: 3.65 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1nc(Nc2ccccc2Cl)c2c(n1)n(C)nc2
  • InChi: 1S/C12H9Cl2N5/c1-19-11-7(6-15-19)10(17-12(14)18-11)16-9-5-3-2-4-8(9)13/h2-6H,1H3,(H,16,17,18)
  • InChiKey: YCEBVUYTQBASJT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-chloro-N-(2-chlorophenyl)-1-methyl-pyrazolo[4,5-e]pyrimidin-4-amine
  • 6-chloro-N-(2-chlorophenyl)-1-methyl-4-pyrazolo[4,5-e]pyrimidinamine
  • (6-chloro-1-methyl-pyrazolo[4,5-e]pyrimidin-4-yl)-(2-chlorophenyl)amine
  • 5413-95-6
  • NSC7867
  • MLS000737886
  • SMR000528075

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) pre-SET domain-containing protein 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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei pyruvate kinase 1 0.0032 0.0618 0.1718
Schistosoma mansoni DNA helicase recq5 0.0009 0.0056 0.0056
Loa Loa (eye worm) pyruvate kinase 0.0032 0.0618 0.1039
Echinococcus multilocularis thymidylate synthase 0.011 0.2507 0.2507
Giardia lamblia DINP protein human, muc B family 0.0022 0.0361 0.5423
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0078 0.0078
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0299 0.0299
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0361 0.1003
Entamoeba histolytica hypothetical protein 0.0035 0.0679 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0252 0.0423
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0729 0.2027
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0056 0.0094
Echinococcus multilocularis tar DNA binding protein 0.0076 0.169 0.169
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0024 0.0418 0.1163
Schistosoma mansoni DNA helicase recq1 0.0009 0.0056 0.0056
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0966 0.1625
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0392 0.1564
Schistosoma mansoni tyrosine kinase 0.0128 0.293 0.293
Schistosoma mansoni pyruvate kinase 0.0032 0.0618 0.0618
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0009 0.0056 0.0056
Schistosoma mansoni DNA polymerase eta 0.0015 0.0197 0.0197
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0857 0.2385
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0392 0.1564
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.169 0.2844
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0056 0.0156
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0857 0.2385
Loa Loa (eye worm) TK/EGFR protein kinase 0.0058 0.1244 0.2093
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0392 0.5772
Giardia lamblia Pyruvate kinase 0.0017 0.0238 0.3237
Schistosoma mansoni cpg binding protein 0.0037 0.0725 0.0725
Loa Loa (eye worm) hypothetical protein 0.0085 0.1903 0.3201
Schistosoma mansoni cpg binding protein 0.0035 0.0677 0.0677
Schistosoma mansoni hypothetical protein 0.0019 0.0299 0.0299
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0155 0.3595 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.007 0.1523 0.2562
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0361 0.1003
Onchocerca volvulus 0.004 0.0817 0.1204
Echinococcus granulosus cpg binding protein 0.0037 0.0725 0.0725
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.0618 0.0911
Brugia malayi polk-prov protein 0.0032 0.0609 0.1025
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0729 0.0729
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0178 0.4139 0.4139
Echinococcus granulosus L aminoadipate semialdehyde 0.0085 0.1903 0.1903
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0155 0.3595 1
Brugia malayi Pre-SET motif family protein 0.0252 0.5944 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0024 0.0418 0.1163
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.0078 0.0078
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0252 0.07
Loa Loa (eye worm) hypothetical protein 0.004 0.0817 0.1374
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0027 0.004
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0392 0.0659
Echinococcus multilocularis lipoxygenase domain containing protein 0.004 0.0817 0.0817
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1295 0.2179
Mycobacterium leprae Probable pyruvate kinase PykA 0.0032 0.0618 0.2464
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0027 0.004
Mycobacterium ulcerans hypothetical protein 0.0023 0.0392 0.1564
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0056 0.0156
Trypanosoma brucei DNA polymerase eta, putative 0.0015 0.0197 0.0547
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0729 0.0729
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0857 0.2385
Echinococcus multilocularis pyruvate kinase 0.0032 0.0618 0.0618
Loa Loa (eye worm) hypothetical protein 0.0009 0.0056 0.0094
Loa Loa (eye worm) histone methyltransferase 0.0012 0.0129 0.0217
Loa Loa (eye worm) hypothetical protein 0.0017 0.0252 0.0423
Chlamydia trachomatis dihydrofolate reductase 0.0045 0.0926 1
Echinococcus granulosus epidermal growth factor receptor 0.0058 0.1244 0.1244
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0229 0.0914
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0129 0.0129
Echinococcus granulosus pyruvate kinase 0.0017 0.0238 0.0238
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0392 0.1564
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0857 0.2385
Echinococcus granulosus pyruvate kinase 0.0017 0.0238 0.0238
Schistosoma mansoni polycystin 1-related 0.004 0.0817 0.0817
Schistosoma mansoni lipoxygenase 0.0105 0.2376 0.2376
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0009 0.0056 0.0056
Trypanosoma brucei unspecified product 0.001 0.0085 0.0237
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0392 0.1564
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0834 0.1403
Loa Loa (eye worm) hypothetical protein 0.0023 0.0392 0.0659
Schistosoma mansoni tar DNA-binding protein 0.0076 0.169 0.169
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0857 0.2385
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.012 0.0335
Loa Loa (eye worm) hypothetical protein 0.0019 0.0299 0.0502
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0015 0.0197 0.0197
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0609 0.1695
Echinococcus multilocularis L aminoadipate semialdehyde 0.0085 0.1903 0.1903
Schistosoma mansoni cpg binding protein 0.0037 0.0725 0.0725
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0015 0.0191 0.0532
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0392 0.1564
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0155 0.3595 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0027 0.004
Loa Loa (eye worm) hypothetical protein 0.0023 0.0392 0.0659
Brugia malayi hypothetical protein 0.0052 0.1107 0.1863
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0009 0.0056 0.0156
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0252 0.1004
Onchocerca volvulus 0.004 0.0817 0.1204
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.0618 0.0911
Loa Loa (eye worm) hypothetical protein 0.0032 0.0609 0.1025
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0058 0.1244 0.1244
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0027 0.004
Echinococcus granulosus tar DNA binding protein 0.0076 0.169 0.169
Echinococcus multilocularis dnaJ subfamily B 0.042 1 1
Brugia malayi Protein kinase domain containing protein 0.0071 0.1548 0.2604
Leishmania major phosphopantetheinyl transferase-like protein 0.0024 0.0418 0.1163
Leishmania major pyruvate kinase 0.0032 0.0618 0.1718
Echinococcus granulosus dihydrofolate reductase 0.0045 0.0926 0.0926
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0027 0.004
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0027 0.004
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0015 0.0197 0.0197
Schistosoma mansoni tyrosine kinase 0.0058 0.1244 0.1244
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0085 0.1903 0.1903
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0249 0.0693
Loa Loa (eye worm) hypothetical protein 0.0017 0.0252 0.0423
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0857 0.2385
Loa Loa (eye worm) hypothetical protein 0.0041 0.0834 0.1403
Schistosoma mansoni pyruvate kinase 0.0017 0.0238 0.0238
Schistosoma mansoni tyrosine kinase 0.0128 0.293 0.293
Plasmodium falciparum LCCL domain-containing protein 0.004 0.0817 0.2272
Schistosoma mansoni lipoxygenase 0.0178 0.4139 0.4139
Echinococcus multilocularis pyruvate kinase 0.0032 0.0618 0.0618
Loa Loa (eye worm) hypothetical protein 0.0023 0.0392 0.0659
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.012 0.0335
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0729 0.0729
Loa Loa (eye worm) pyruvate kinase-PB 0.0022 0.0382 0.0642
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0299 0.0502
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0249 0.0693
Echinococcus multilocularis pyruvate kinase 0.0025 0.0453 0.0453
Brugia malayi pyruvate kinase 0.0007 0.0002 0.0003
Trichomonas vaginalis DNA helicase recq, putative 0.0012 0.012 0.0177
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0128 0.293 0.293
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0392 0.1564
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0009 0.0056 0.0094
Echinococcus multilocularis pyruvate kinase 0.0017 0.0238 0.0238
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0229 0.0914
Chlamydia trachomatis pyruvate kinase 0.0032 0.0618 0.5432
Loa Loa (eye worm) hypothetical protein 0.0032 0.0618 0.1039
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0252 0.1004
Echinococcus granulosus lipoxygenase domain containing protein 0.004 0.0817 0.0817
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0015 0.0196 0.0544
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0729 0.0729
Brugia malayi Pre-SET motif family protein 0.0037 0.0729 0.1226
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.001 0.0073 0.0123
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.5371 0.5371
Echinococcus multilocularis dihydrofolate reductase 0.0045 0.0926 0.0926
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0015 0.0197 0.0197
Brugia malayi Pyruvate kinase, M2 isozyme 0.0032 0.0618 0.1039
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0299 0.0299
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0299 0.0502
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.169 0.2844
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.5371 0.5371
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0027 0.004
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0027 0.004
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0024 0.0418 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.169 0.2844
Echinococcus multilocularis epidermal growth factor receptor 0.0058 0.1244 0.1244
Schistosoma mansoni tyrosine kinase 0.0057 0.1219 0.1219
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.0857 0.342
Mycobacterium tuberculosis Probable DNA polymerase IV DinX (pol IV 1) (DNA nucleotidyltransferase (DNA-directed)) 0.0007 0.0001 0.0004
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0392 0.1564
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0392 0.5772
Brugia malayi hypothetical protein 0.0035 0.0679 0.1142
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.1651 0.1651
Schistosoma mansoni tar DNA-binding protein 0.0076 0.169 0.169
Schistosoma mansoni hypothetical protein 0.0053 0.1122 0.1122
Plasmodium vivax pyruvate kinase 2, putative 0.0017 0.0238 0.0661
Loa Loa (eye worm) hypothetical protein 0.004 0.0817 0.1374
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0392 0.1564
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0857 0.2385
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0009 0.0056 0.0056
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0045 0.0926 0.3693
Schistosoma mansoni hypothetical protein 0.0019 0.0299 0.0299
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0027 0.004
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0857 0.2385
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0024 0.0418 0.1668
Schistosoma mansoni hypothetical protein 0.004 0.0817 0.0817
Mycobacterium leprae conserved hypothetical protein 0.0024 0.0418 0.1668
Mycobacterium ulcerans DNA polymerase IV 0.0042 0.0857 0.342
Loa Loa (eye worm) hypothetical protein 0.0015 0.0197 0.0331
Brugia malayi hypothetical protein 0.004 0.0817 0.1374
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0367 0.0618
Onchocerca volvulus 0.0035 0.0677 0.0998
Echinococcus multilocularis cpg binding protein 0.0037 0.0725 0.0725
Leishmania major DNA polymerase eta, putative 0.0015 0.0197 0.0547
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0045 0.0926 0.3693
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0857 0.2385
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0042 0.0857 0.1264
Plasmodium falciparum pyruvate kinase 2 0.0017 0.0238 0.0661
Mycobacterium tuberculosis Conserved hypothetical protein 0.0015 0.0197 0.0785
Echinococcus granulosus pyruvate kinase 0.0032 0.0618 0.0618
Echinococcus granulosus dna polymerase eta 0.0015 0.0197 0.0197
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0155 0.3595 1
Schistosoma mansoni pyruvate kinase 0.0032 0.0618 0.0618
Schistosoma mansoni tar DNA-binding protein 0.0076 0.169 0.169
Echinococcus granulosus RUN 0.004 0.0817 0.0817
Mycobacterium ulcerans pyruvate kinase 0.0032 0.0618 0.2464
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.5944 1
Entamoeba histolytica hypothetical protein 0.0024 0.0418 0.6157
Schistosoma mansoni tyrosine kinase 0.0058 0.1244 0.1244
Brugia malayi Protein kinase domain containing protein 0.0128 0.293 0.4929
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0024 0.0418 0.1668
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0729 0.0729
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0178 0.4139 0.4139
Echinococcus granulosus thymidylate synthase 0.011 0.2507 0.2507
Trypanosoma cruzi pyruvate kinase 2, putative 0.0032 0.0618 0.1718
Schistosoma mansoni tyrosine kinase 0.0057 0.1219 0.1219
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0679 0.0679
Brugia malayi Dihydrofolate reductase 0.0045 0.0926 0.1557
Onchocerca volvulus 0.0287 0.6785 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.004 0.0817 0.0817
Brugia malayi CXXC zinc finger family protein 0.0035 0.0677 0.1139
Entamoeba histolytica deoxycytidyl transferase, putative 0.0015 0.0197 0.2897
Entamoeba histolytica hypothetical protein 0.0035 0.0679 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0027 0.004
Echinococcus granulosus epidermal growth factor receptor 0.0058 0.1244 0.1244
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.0609 0.1695
Loa Loa (eye worm) pyruvate kinase 0.0032 0.0618 0.1039
Trichomonas vaginalis pyruvate kinase, putative 0.0032 0.0618 0.0911
Trypanosoma brucei unspecified product 0.0035 0.0693 0.1929
Trichomonas vaginalis pyruvate kinase, putative 0.0032 0.0618 0.0911
Echinococcus multilocularis pyruvate kinase 0.0017 0.0238 0.0238
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.1107 0.1632
Loa Loa (eye worm) hypothetical protein 0.006 0.1295 0.2179
Mycobacterium tuberculosis Hypothetical protein 0.0052 0.1107 0.4417
Schistosoma mansoni hypothetical protein 0.0019 0.0299 0.0299
Loa Loa (eye worm) doublecortin family protein 0.004 0.0817 0.1374
Schistosoma mansoni hypothetical protein 0.0019 0.0299 0.0299
Brugia malayi Doublecortin family protein 0.004 0.0817 0.1374
Echinococcus multilocularis Polycystic kidney disease protein 0.004 0.0817 0.0817
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.011 0.2507 0.2507
Loa Loa (eye worm) hypothetical protein 0.0017 0.026 0.0437
Echinococcus multilocularis mixed lineage leukemia protein mll 0.001 0.0078 0.0078
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0392 0.1564
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0024 0.0418 0.2469
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0857 0.2385
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.011 0.2507 1
Schistosoma mansoni loxhd1 0.004 0.0817 0.0817
Onchocerca volvulus 0.011 0.2507 0.3695
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0078 0.0078
Echinococcus multilocularis GPCR, family 2 0.0019 0.0299 0.0299
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0129 0.0129
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0052 0.1107 0.3079
Plasmodium vivax multidomain scavenger receptor, putative 0.004 0.0817 0.2272
Schistosoma mansoni tyrosine kinase 0.0058 0.1244 0.1244
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0027 0.004
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1295 0.2179
Loa Loa (eye worm) hypothetical protein 0.0017 0.0252 0.0423
Leishmania major DNA polymerase kappa, putative 0.0022 0.0361 0.1003
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0857 0.2385
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.0249 0.0693
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0679 0.0679
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0857 0.2385
Trypanosoma brucei DNA polymerase IV, putative 0.0035 0.0693 0.1929
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.011 0.2507 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0361 0.1439
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0418 0.1163
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0229 0.0914
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0128 0.293 0.293
Entamoeba histolytica pyruvate kinase, putative 0.0022 0.0382 0.5619
Onchocerca volvulus Pyruvate kinase homolog 0.0032 0.0618 0.0911
Trypanosoma brucei pyruvate kinase 1, putative 0.0032 0.0618 0.1718
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0027 0.004
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0857 0.2385
Toxoplasma gondii pyruvate kinase PyK1 0.0032 0.0618 0.1718
Schistosoma mansoni hypothetical protein 0.042 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0392 0.1564
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0197 0.0331
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0392 0.0659
Echinococcus multilocularis dna polymerase eta 0.0015 0.0197 0.0197
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0392 0.109
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0155 0.3595 1
Toxoplasma gondii pyruvate kinase PyKII 0.0017 0.0238 0.0661
Echinococcus granulosus Polycystic kidney disease protein 0.004 0.0817 0.0817
Giardia lamblia Pyruvate kinase 0.0032 0.0618 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0015 0.0197 0.0331
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0857 0.2385
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0392 0.1564
Echinococcus multilocularis 0.0017 0.0241 0.0241
Echinococcus multilocularis RUN 0.004 0.0817 0.0817
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0024 0.0418 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0392 0.109
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0011 0.0113 0.0313
Echinococcus multilocularis pyruvate kinase 0.0017 0.0238 0.0238
Brugia malayi hypothetical protein 0.004 0.0817 0.1374
Loa Loa (eye worm) thymidylate synthase 0.011 0.2507 0.4217
Trypanosoma brucei DNA polymerase IV, putative 0.0042 0.0857 0.2385
Schistosoma mansoni hypothetical protein 0.0041 0.0834 0.0834
Echinococcus multilocularis insulin receptor 0.0128 0.293 0.293
Trypanosoma cruzi pyruvate kinase 2, putative 0.0032 0.0618 0.1718
Echinococcus granulosus pyruvate kinase 0.0017 0.0238 0.0238
Entamoeba histolytica hypothetical protein 0.0035 0.0679 1
Leishmania major pyruvate kinase 0.0032 0.0618 0.1718
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0299 0.0502
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0045 0.0926 0.3693
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0392 0.5772
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0027 0.004
Plasmodium vivax SET domain protein, putative 0.0037 0.0729 0.2027
Trichomonas vaginalis helicase, putative 0.0008 0.0027 0.004
Schistosoma mansoni rab6-interacting 0.004 0.0817 0.0817
Loa Loa (eye worm) pyruvate kinase 0.0032 0.0618 0.1039
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0155 0.3595 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0042 0.0857 0.1264
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0032 0.0618 0.2464
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0126 0.0212
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0252 0.07
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0679 0.0679
Loa Loa (eye worm) hypothetical protein 0.0037 0.0729 0.1226
Brugia malayi RNA binding protein 0.0076 0.169 0.2844
Schistosoma mansoni tar DNA-binding protein 0.0076 0.169 0.169
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0303 0.0842
Loa Loa (eye worm) hypothetical protein 0.0228 0.5371 0.9037
Echinococcus granulosus insulin receptor 0.0128 0.293 0.293
Echinococcus granulosus pyruvate kinase 0.0032 0.0618 0.0618
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.1461 0.4063
Brugia malayi hypothetical protein 0.0228 0.5371 0.9037
Echinococcus multilocularis epidermal growth factor receptor 0.0058 0.1244 0.1244
Plasmodium falciparum pyruvate kinase 0.0032 0.0618 0.1718
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0392 0.109
Entamoeba histolytica recQ family helicase, putative 0.0012 0.012 0.1772
Schistosoma mansoni hypothetical protein 0.0047 0.0966 0.0966
Onchocerca volvulus 0.0037 0.0729 0.1074
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0056 0.0094
Brugia malayi TAR-binding protein 0.0076 0.169 0.2844
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0418 0.1163
Brugia malayi Pyruvate kinase, muscle isozyme 0.0032 0.0618 0.1039
Echinococcus multilocularis dna polymerase kappa 0.0042 0.0857 0.0857
Loa Loa (eye worm) TAR-binding protein 0.0076 0.169 0.2844
Trypanosoma brucei unspecified product 0.001 0.0085 0.0237
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0367 0.0541
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0677 0.1139
Echinococcus granulosus mixed lineage leukemia protein mll 0.001 0.0078 0.0078
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0009 0.0056 0.0056
Loa Loa (eye worm) TK/INSR protein kinase 0.0128 0.293 0.4929
Echinococcus granulosus GPCR family 2 0.0019 0.0299 0.0299
Echinococcus granulosus bloom syndrome protein 0.0022 0.0367 0.0367
Mycobacterium ulcerans thymidylate synthase 0.011 0.2507 1
Schistosoma mansoni rab6-interacting 0.004 0.0817 0.0817
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0027 0.004
Schistosoma mansoni terminal deoxycytidyl transferase 0.0015 0.0197 0.0197
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0197 0.0331
Schistosoma mansoni tar DNA-binding protein 0.0076 0.169 0.169
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0256 0.0256
Schistosoma mansoni dihydrofolate reductase 0.0045 0.0926 0.0926
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0229 0.0914
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0027 0.004
Onchocerca volvulus 0.0023 0.0392 0.0578
Trichomonas vaginalis set domain proteins, putative 0.0287 0.6785 1
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0418 0.1163
Schistosoma mansoni survival motor neuron protein 0.0047 0.0966 0.0966
Loa Loa (eye worm) RecQ helicase 0.0022 0.0367 0.0618
Brugia malayi Furin-like cysteine rich region family protein 0.0058 0.1244 0.2093
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0027 0.004
Onchocerca volvulus 0.0085 0.1903 0.2804
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0367 0.0367
Loa Loa (eye worm) dihydrofolate reductase 0.0045 0.0926 0.1557
Onchocerca volvulus 0.0047 0.0966 0.1424
Echinococcus granulosus dna polymerase kappa 0.0042 0.0857 0.0857
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.012 0.0335
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0729 0.0729
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.0367 0.0541
Plasmodium vivax pyruvate kinase, putative 0.0032 0.0618 0.1718
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0027 0.004
Echinococcus granulosus lipoxygenase domain containing protein 0.004 0.0817 0.0817
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0085 0.1903 0.3201
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0392 0.0659
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0024 0.0418 0.1668
Brugia malayi thymidylate synthase 0.011 0.2507 0.4217
Brugia malayi dihydrofolate reductase family protein 0.0045 0.0926 0.1557
Loa Loa (eye worm) hypothetical protein 0.0017 0.0252 0.0423
Loa Loa (eye worm) hypothetical protein 0.0022 0.0382 0.0642
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0678 0.0678
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0299 0.0299
Loa Loa (eye worm) pyruvate kinase 0.0007 0.0002 0.0003
Schistosoma mansoni hypothetical protein 0.0035 0.0679 0.0679
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1295 0.2179
Trypanosoma cruzi DNA polymerase eta, putative 0.0015 0.0197 0.0547
Entamoeba histolytica hypothetical protein 0.0035 0.0679 1
Schistosoma mansoni tyrosine kinase 0.0057 0.1219 0.1219
Brugia malayi pyruvate kinase, muscle isozyme 0.0007 0.0002 0.0003
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0729 0.0729

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0029 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 1.4125 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 (functional) 10 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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