Detailed information for compound 1283361

Basic information

Technical information
  • TDR Targets ID: 1283361
  • Name: 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b ]indole; naphthalene-1,5-disulfonic acid
  • MW: 564.672 | Formula: C29H28N2O6S2
  • H donors: 2 H acceptors: 6 LogP: 1.89 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: OS(=O)(=O)c1cccc2c1cccc2S(=O)(=O)O.CN1CCc2c(C1)c1ccccc1n2Cc1ccccc1
  • InChi: 1S/C19H20N2.C10H8O6S2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h2-10H,11-14H2,1H3;1-6H,(H,11,12,13)(H,14,15,16)
  • InChiKey: UBHSARJULCDNFC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-methyl-5-(phenylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole; naphthalene-1,5-disulfonic acid
  • KBio2_001808
  • SPECTRUM1501116
  • MEBHYDROLIN NAPHTHALENESULFONATE
  • Prestwick1_000455
  • KBio2_006944
  • KBioGR_000400
  • KBioSS_001808
  • Spectrum_001328
  • Spectrum3_001443
  • KBio2_004376
  • NCGC00094899-01
  • Spectrum4_000100
  • Spectrum2_000680
  • KBio1_000499
  • SPBio_000779
  • Prestwick0_000455
  • NCGC00094899-02
  • KBio3_002405
  • SPBio_002469
  • DivK1c_000499
  • NINDS_000499

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Trypanosoma brucei 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
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 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
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
Entamoeba histolytica myo-inositol monophosphatase, 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
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 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 mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase 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
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein 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
Trichomonas vaginalis myo inositol monophosphatase, 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
Trichomonas vaginalis inositol monophosphatase, putative 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
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, 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
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
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 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
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 307 aa 22.5 %
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 306 aa 22.5 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.0081 0.2016
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0047 0.1199
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0029 0.0705
Loa Loa (eye worm) hypothetical protein 0.0066 0.0052 0.1307
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0028 0.0022
Loa Loa (eye worm) hypothetical protein 0.0223 0.0203 0.5169
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 1.0472 1 1
Echinococcus multilocularis dna polymerase kappa 0.0039 0.0027 0.0148
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0032 0.0218
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0027 0.0682
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0016 0.0005 0.0095
Echinococcus multilocularis carbonic anhydrase 0.0223 0.0203 0.1295
Leishmania major pyruvate kinase 0.0067 0.0054 0.1378
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0023 0.0567
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0047 0.1201
Trichomonas vaginalis glutaminase, putative 0.028 0.0257 0.5524
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0023 0.0568
Leishmania major pyruvate kinase 0.0067 0.0054 0.1378
Mycobacterium tuberculosis Conserved protein 0.0035 0.0023 0.0017
Onchocerca volvulus 0.0033 0.0021 0.0465
Trypanosoma brucei unspecified product 0.0039 0.0027 0.0682
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.006 0.0047 0.1201
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.0093
Brugia malayi hypothetical protein 0.0035 0.0023 0.0556
Echinococcus granulosus dna polymerase kappa 0.0039 0.0027 0.06
Onchocerca volvulus 0.0035 0.0023 0.0516
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0005 0.0002
Loa Loa (eye worm) hypothetical protein 0.006 0.0047 0.1177
Loa Loa (eye worm) hypothetical protein 0.0018 0.0006 0.0132
Mycobacterium tuberculosis Conserved hypothetical protein 0.0039 0.0027 0.0022
Echinococcus granulosus histone lysine methyltransferase setb 0.006 0.0047 0.1124
Trypanosoma cruzi pyruvate kinase 2, putative 0.0067 0.0054 0.1378
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0023 0.0017
Schistosoma mansoni hypothetical protein 0.004 0.0027 0.0683
Mycobacterium tuberculosis Conserved protein 0.0035 0.0023 0.0017
Trypanosoma brucei unspecified product 0.0027 0.0016 0.0375
Loa Loa (eye worm) hypothetical protein 0.0035 0.0023 0.0557
Schistosoma mansoni hypothetical protein 0.004 0.0027 0.0683
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0023 0.0486
Echinococcus granulosus pyruvate kinase 0.0035 0.0023 0.0475
Plasmodium falciparum carbonic anhydrase 0.0223 0.0203 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.042 0.0391 1
Echinococcus granulosus pyruvate kinase 0.0067 0.0054 0.1303
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0012 0.0011
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0027 0.0682
Toxoplasma gondii hypothetical protein 0.0223 0.0203 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0023 0.012
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.006 0.0047 0.2277
Echinococcus multilocularis lamin dm0 0.0033 0.0021 0.0105
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0016 0.0005 0.0008
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0032 0.0789
Schistosoma mansoni inositol monophosphatase 0.0045 0.0032 0.081
Brugia malayi beta-lactamase 0.0035 0.0023 0.0557
Leishmania major DNA polymerase eta, putative 0.0038 0.0026 0.0652
Onchocerca volvulus Pyruvate kinase homolog 0.0067 0.0054 0.1208
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0032 0.0179
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.0108 0.2737
Echinococcus multilocularis pyruvate kinase 0.0035 0.0023 0.0118
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0223 0.0203 0.5169
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.0047 0.1122
Echinococcus granulosus geminin 0.0164 0.0147 0.3757
Echinococcus granulosus phd:f box containing protein 0.0016 0.0005 0.0008
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0412 0.0383 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0182 0.0163 0.4244
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0032 0.081
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0027 0.0682
Brugia malayi beta-lactamase family protein 0.0035 0.0023 0.0557
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0029 0.0158
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0012 0.0011
Echinococcus granulosus pyruvate kinase 0.0035 0.0023 0.0475
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0023 0.0485
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0027 0.0682
Loa Loa (eye worm) hypothetical protein 0.0047 0.0034 0.0851
Schistosoma mansoni lamin 0.0033 0.0021 0.0508
Plasmodium vivax pyruvate kinase, putative 0.0067 0.0054 0.3246
Echinococcus granulosus pyruvate kinase 0.0067 0.0054 0.1303
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0086 0.0072 0.1858
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0412 0.0383 0.98
Brugia malayi Pre-SET motif family protein 0.042 0.0391 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0032 0.0179
Loa Loa (eye worm) pyruvate kinase 0.0067 0.0054 0.135
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.0027 0.0026
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0032 0.081
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.0093
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.0081 0.2044
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0223 0.0203 0.5169
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0027 0.0682
Plasmodium vivax pyruvate kinase 2, putative 0.0035 0.0023 0.1315
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0023 0.0557
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0012 0.0007
Echinococcus multilocularis protein patched 0.0041 0.0029 0.0158
Loa Loa (eye worm) hypothetical protein 0.0035 0.0023 0.0557
Schistosoma mansoni DNA polymerase eta 0.0066 0.0052 0.1334
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0029 0.0639
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0029 0.0639
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0012 0.0011
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0223 0.0203 0.5169
Mycobacterium ulcerans pyruvate kinase 0.0067 0.0054 0.0053
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0412 0.0383 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0005 0.0095
Schistosoma mansoni jumonji domain containing protein 0.0016 0.0005 0.0095
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.0085
Echinococcus multilocularis lysine specific demethylase 5A 0.006 0.0047 0.0278
Schistosoma mansoni pyruvate kinase 0.0035 0.0023 0.0558
Echinococcus multilocularis pyruvate kinase 0.0035 0.0023 0.0118
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0023 0.0017
Echinococcus granulosus Niemann Pick C1 protein 0.0137 0.012 0.3052
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.0108 0.2737
Loa Loa (eye worm) hypothetical protein 0.0041 0.0029 0.0705
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0027 0.0682
Schistosoma mansoni phosphatidylserine receptor 0.0016 0.0005 0.0095
Schistosoma mansoni carbonic anhydrase-related 0.0223 0.0203 0.5275
Mycobacterium ulcerans TetR family transcriptional regulator 1.0472 1 1
Trichomonas vaginalis set domain proteins, putative 0.0478 0.0446 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0006 0.0316
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0012 0.0007
Chlamydia trachomatis pyruvate kinase 0.0067 0.0054 1
Giardia lamblia DINP protein human, muc B family 0.0039 0.0027 0.4947
Loa Loa (eye worm) hypothetical protein 0.0035 0.0023 0.0557
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0027 0.0682
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0006 0.0127
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0032 0.0789
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0032 0.0805
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0023 0.0011
Entamoeba histolytica deoxycytidyl transferase, putative 0.0039 0.0027 0.2209
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0412 0.0383 1
Brugia malayi Pyruvate kinase, M2 isozyme 0.0067 0.0054 0.135
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0412 0.0383 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0067 0.0054 0.0048
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.0005 0.0002
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0023 0.0022
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0182 0.0163 0.8047
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0182 0.0163 0.4244
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0028 0.0016
Schistosoma mansoni intermediate filament proteins 0.0033 0.0021 0.0508
Trypanosoma brucei carbonic anhydrase-like protein 0.0412 0.0383 1
Brugia malayi jmjC domain containing protein 0.006 0.0047 0.1175
Plasmodium falciparum pyruvate kinase 2 0.0035 0.0023 0.1058
Echinococcus multilocularis carbonic anhydrase 0.0223 0.0203 0.1295
Echinococcus multilocularis pyruvate kinase 0.0067 0.0054 0.0322
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0047 0.1201
Echinococcus granulosus dna polymerase eta 0.0066 0.0052 0.1258
Echinococcus multilocularis pyruvate kinase 0.0067 0.0054 0.0322
Loa Loa (eye worm) hypothetical protein 0.0035 0.0023 0.0557
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0012 0.0283
Schistosoma mansoni inositol monophosphatase 0.0045 0.0032 0.081
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0182 0.0163 0.0151
Loa Loa (eye worm) hypothetical protein 0.0024 0.0012 0.0278
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.0005 0.0008
Trypanosoma brucei pyruvate kinase 1 0.0067 0.0054 0.1378
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0027 0.0682
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0006 0.0127
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0016 0.0375
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0039 0.0027 0.0682
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0027 0.0682
Trichomonas vaginalis pyruvate kinase, putative 0.0067 0.0054 0.073
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0023 0.0017
Mycobacterium leprae Probable lipase LipE 0.0035 0.0023 0.0011
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0016 0.0005 0.0002
Entamoeba histolytica hypothetical protein 0.0035 0.0023 0.1576
Schistosoma mansoni carbonic anhydrase 0.0223 0.0203 0.5275
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0223 0.0203 0.5169
Schistosoma mansoni terminal deoxycytidyl transferase 0.0039 0.0027 0.0682
Echinococcus multilocularis musashi 0.0033 0.0021 0.0105
Plasmodium falciparum JmjC domain-containing protein, putative 0.0016 0.0005 0.018
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0005 0.0002
Entamoeba histolytica hypothetical protein 0.0035 0.0023 0.1576
Mycobacterium ulcerans transcriptional regulator 1.0472 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0027 0.0682
Loa Loa (eye worm) hypothetical protein 0.0024 0.0012 0.0278
Echinococcus granulosus carbonic anhydrase 0.0223 0.0203 0.5233
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0182 0.0163 0.4244
Entamoeba histolytica hypothetical protein 0.0035 0.0023 0.1576
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0023 0.0017
Brugia malayi jmjC domain containing protein 0.0016 0.0005 0.0093
Schistosoma mansoni pyruvate kinase 0.0067 0.0054 0.1378
Echinococcus multilocularis pyruvate kinase 0.0053 0.004 0.0234
Trichomonas vaginalis pyruvate kinase, putative 0.0067 0.0054 0.073
Loa Loa (eye worm) pyruvate kinase 0.0067 0.0054 0.135
Leishmania major DNA polymerase eta, putative 0.0066 0.0052 0.1334
Brugia malayi thymidylate synthase 0.0182 0.0163 0.416
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0027 0.0682
Leishmania major carbonic anhydrase-like protein 0.0412 0.0383 1
Schistosoma mansoni carbonic anhydrase-related 0.0223 0.0203 0.5275
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0012 0.0278
Schistosoma mansoni hypothetical protein 0.0223 0.0203 0.5275
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0012 0.0011
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0005 0.0093
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0016 0.0005 0.0095
Schistosoma mansoni phd/f-box containing protein 0.0016 0.0005 0.0095
Toxoplasma gondii pyruvate kinase PyK1 0.0067 0.0054 0.2612
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0027 0.0682
Mycobacterium ulcerans thymidylate synthase 0.0182 0.0163 0.0162
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0012 0.0011
Brugia malayi pyruvate kinase, muscle isozyme 0.0014 0.0003 0.0047
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.006 0.0047 0.0278
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.006 0.0047 0.1201
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0006 0.0001
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0012 0.0283
Echinococcus multilocularis carbonic anhydrase II 0.0412 0.0383 0.2474
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0027 0.0682
Mycobacterium ulcerans AcrR family transcriptional regulator 1.0472 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0005 0.0093
Echinococcus multilocularis lamin 0.0033 0.0021 0.0105
Loa Loa (eye worm) hypothetical protein 0.0018 0.0006 0.0132
Onchocerca volvulus 0.0478 0.0446 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0039 0.0027 0.0148
Echinococcus granulosus carbonic anhydrase 0.0223 0.0203 0.5233
Entamoeba histolytica hypothetical protein 0.0035 0.0023 0.1576
Echinococcus multilocularis protein dispatched 1 0.0047 0.0034 0.0194
Echinococcus granulosus thymidylate synthase 0.0182 0.0163 0.4194
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0016 0.0005 0.018
Onchocerca volvulus Pyruvate kinase homolog 0.0067 0.0054 0.1208
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0012 0.0278
Toxoplasma gondii ABC1 family protein 0.0035 0.0023 0.1077
Trypanosoma brucei pyruvate kinase 1, putative 0.0067 0.0054 0.1378
Loa Loa (eye worm) carbonic anhydrase 3 0.0412 0.0383 0.98
Brugia malayi jmjC domain containing protein 0.0016 0.0005 0.0093
Echinococcus granulosus pyruvate kinase 0.0035 0.0023 0.0475
Brugia malayi jmjC domain containing protein 0.0016 0.0005 0.0093
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0182 0.0163 0.8047
Trichomonas vaginalis DNA polymerase eta, putative 0.0039 0.0027 0.0102
Loa Loa (eye worm) glutaminase 0.028 0.0257 0.6559
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0032 0.0805
Brugia malayi Pre-SET motif family protein 0.006 0.0047 0.1177
Schistosoma mansoni hypothetical protein 0.0164 0.0147 0.3811
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0027 0.0682
Loa Loa (eye worm) hypothetical protein 0.0067 0.0054 0.135
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0023 0.0557
Plasmodium falciparum pyruvate kinase 0.0067 0.0054 0.2612
Brugia malayi glutaminase DH11.1 0.028 0.0257 0.6559
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0021 0.0498
Brugia malayi jmjC domain containing protein 0.0016 0.0005 0.0093
Loa Loa (eye worm) hypothetical protein 0.0018 0.0006 0.0132
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0032 0.0724
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0032 0.081
Loa Loa (eye worm) hypothetical protein 0.0018 0.0006 0.0132
Mycobacterium ulcerans beta-lactamase 0.0035 0.0023 0.0022
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0016 0.0005 0.0095
Echinococcus granulosus lamin 0.0033 0.0021 0.0426
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0006 0.0005
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.0203 0.0198
Schistosoma mansoni lamin 0.0033 0.0021 0.0508
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.0081 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0412 0.0383 0.98
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0032 0.0031
Onchocerca volvulus 0.0035 0.0023 0.0516
Leishmania major DNA polymerase kappa, putative 0.0039 0.0027 0.0682
Mycobacterium ulcerans glutaminase 0.028 0.0257 0.0256
Brugia malayi beta-lactamase family protein 0.0035 0.0023 0.0557
Giardia lamblia Pyruvate kinase 0.0035 0.0023 0.4049
Echinococcus multilocularis Niemann Pick C1 protein 0.0137 0.012 0.0755
Schistosoma mansoni glutaminase 0.028 0.0257 0.6693
Mycobacterium ulcerans lipase LipD 0.0035 0.0023 0.0022
Toxoplasma gondii pyruvate kinase PyKII 0.0035 0.0023 0.1058
Plasmodium vivax SET domain protein, putative 0.006 0.0047 0.2829
Loa Loa (eye worm) hypothetical protein 0.005 0.0038 0.0932
Schistosoma mansoni hypothetical protein 0.0164 0.0147 0.3811
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0182 0.0163 0.0158
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0023 0.0568
Loa Loa (eye worm) pyruvate kinase-PB 0.0047 0.0034 0.0851
Onchocerca volvulus 0.0182 0.0163 0.366
Plasmodium vivax JmjC domain containing protein 0.0016 0.0005 0.0223
Loa Loa (eye worm) hypothetical protein 0.0033 0.0021 0.0498
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0023 0.0568
Loa Loa (eye worm) hypothetical protein 0.0223 0.0203 0.5169
Echinococcus granulosus carbonic anhydrase 0.0223 0.0203 0.5233
Brugia malayi jmjC domain containing protein 0.006 0.0047 0.1175
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0023 0.0568
Schistosoma mansoni jumonji domain containing protein 0.006 0.0047 0.1199
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0027 0.0682
Leishmania major hypothetical protein, conserved 0.0016 0.0005 0.0095
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0012 0.0278
Echinococcus multilocularis geminin 0.0164 0.0147 0.0929
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0027 0.0682
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.0027 0.0026
Mycobacterium ulcerans hypothetical protein 0.0035 0.0023 0.0022
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0005 0.0002
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0032 0.0218
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.0027 0.0668
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.006 0.0047 0.0278
Schistosoma mansoni pyruvate kinase 0.0067 0.0054 0.1378
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0023 0.0017
Loa Loa (eye worm) beta-lactamase 0.0035 0.0023 0.0557
Brugia malayi ImpB/MucB/SamB family protein 0.0066 0.0052 0.1307
Echinococcus multilocularis thymidylate synthase 0.0182 0.0163 0.1037
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0412 0.0383 0.98
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0223 0.0203 0.5169
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.002 0.0009 0.0199
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.0081 0.0499
Loa Loa (eye worm) hypothetical protein 0.0018 0.0006 0.0132
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.0082 0.2123
Brugia malayi MH2 domain containing protein 0.0124 0.0108 0.2737
Mycobacterium leprae Probable pyruvate kinase PykA 0.0067 0.0054 0.0042
Schistosoma mansoni carbonic anhydrase-related 0.0223 0.0203 0.5275
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0039 0.0027 0.06
Onchocerca volvulus Pyruvate kinase homolog 0.0067 0.0054 0.1208
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0021 0.0498
Loa Loa (eye worm) glutaminase 2 0.028 0.0257 0.6559
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0047 0.1199
Echinococcus multilocularis expressed conserved protein 0.009 0.0075 0.0463
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0223 0.0203 0.5169
Mycobacterium tuberculosis Hypothetical protein 0.0086 0.0072 0.0067
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0021 0.0498
Brugia malayi hypothetical protein 0.0086 0.0072 0.1821
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0023 0.0017
Mycobacterium tuberculosis Conserved protein 0.0035 0.0023 0.0017
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0026 0.0652
Echinococcus multilocularis dna polymerase eta 0.0066 0.0052 0.0311
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.007
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0016 0.0375
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.0005 0.0008
Schistosoma mansoni hypothetical protein 0.004 0.0027 0.0683
Schistosoma mansoni hypothetical protein 0.0035 0.0023 0.0567
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0012 0.0283
Trypanosoma cruzi DNA polymerase eta, putative 0.0066 0.0052 0.1334
Loa Loa (eye worm) thymidylate synthase 0.0182 0.0163 0.416
Brugia malayi intermediate filament protein 0.0033 0.0021 0.0498
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0058 0.0045 0.1068
Trichomonas vaginalis conserved hypothetical protein 0.0086 0.0072 0.1164
Loa Loa (eye worm) hypothetical protein 0.0035 0.0023 0.0557
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0032 0.0724
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0032 0.0218
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0029 0.0137
Schistosoma mansoni patched 1 0.0041 0.0029 0.072
Echinococcus granulosus lamin dm0 0.0033 0.0021 0.0426
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0023 0.1339
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0039 0.0027 0.0022
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0026 0.1237
Schistosoma mansoni protein phosphatase 2C 0.0016 0.0005 0.0095
Leishmania major hypothetical protein, conserved 0.0035 0.0023 0.0568
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0016 0.0375
Brugia malayi Pyruvate kinase, muscle isozyme 0.0067 0.0054 0.135
Onchocerca volvulus 0.0033 0.0021 0.0465
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.006 0.0047 0.0278
Echinococcus granulosus expressed conserved protein 0.009 0.0075 0.187
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0032 0.1535
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0006 0.0255
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0023 0.0568
Onchocerca volvulus 0.0035 0.0023 0.0516
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0039 0.0027 0.0668
Onchocerca volvulus 0.0024 0.0012 0.0272
Loa Loa (eye worm) inositol-1 0.0045 0.0032 0.0794
Loa Loa (eye worm) hypothetical protein 0.0035 0.0023 0.0557
Trypanosoma cruzi pyruvate kinase 2, putative 0.0067 0.0054 0.1378
Brugia malayi CHE-14 protein 0.0041 0.0029 0.0705
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0039 0.0027 0.0682
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0032 0.2921
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0032 0.018
Loa Loa (eye worm) hypothetical protein 0.0016 0.0005 0.0093
Echinococcus multilocularis carbonic anhydrase 0.0223 0.0203 0.1295
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1617 0.1535 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0081 0.2044
Loa Loa (eye worm) hypothetical protein 0.0024 0.0012 0.0278
Mycobacterium ulcerans hypothetical protein 0.0024 0.0012 0.0011
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0032 0.0805
Trypanosoma brucei DNA polymerase eta, putative 0.0066 0.0052 0.1334
Echinococcus multilocularis pyruvate kinase 0.0035 0.0023 0.0118
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0023 0.0022
Schistosoma mansoni hypothetical protein 0.004 0.0027 0.0683
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0023 0.0017
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0012 0.0011
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0039 0.0027 0.0102
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.006 0.0047 0.1122
Echinococcus granulosus carbonic anhydrase II 0.0412 0.0383 1
Echinococcus granulosus intermediate filament protein 0.0033 0.0021 0.0426
Loa Loa (eye worm) pyruvate kinase 0.0014 0.0003 0.0047
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.007
Trypanosoma brucei unspecified product 0.0027 0.0016 0.0375
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0016 0.0005 0.018
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0032 0.5
Brugia malayi pyruvate kinase 0.0014 0.0003 0.0047
Loa Loa (eye worm) pyruvate kinase 0.0067 0.0054 0.135
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0182 0.0163 0.4244
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0047 0.1175
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0182 0.0163 1
Onchocerca volvulus 0.006 0.0047 0.1057
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0032 0.0729
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0012 0.0011
Giardia lamblia Pyruvate kinase 0.0067 0.0054 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0027 0.0682
Loa Loa (eye worm) hypothetical protein 0.0032 0.002 0.0484
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.0005 0.0008
Loa Loa (eye worm) hypothetical protein 0.0223 0.0203 0.5169
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0032 0.081
Brugia malayi Inositol-1 0.0045 0.0032 0.0794
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0005 0.0093
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0023 0.012
Entamoeba histolytica pyruvate kinase, putative 0.0047 0.0034 0.3245

Activities

Activity type Activity value Assay description Source Reference
Inhibition (ADMET) = 69.51600134 % Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM ChEMBL. 23571415
Inhibition (ADMET) = 77.15240429 % Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM ChEMBL. 23571415
Potency (functional) = 4.4668 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: Inhibitors of USP1/UAF1: Pilot qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504878] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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