Detailed information for compound 573820

Basic information

Technical information
  • TDR Targets ID: 573820
  • Name: 5-benzyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b ]indole; naphthalene-1,5-disulfonic acid
  • MW: 841.048 | Formula: C48H48N4O6S2
  • H donors: 2 H acceptors: 6 LogP: 3.11 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: OS(=O)(=O)c1cccc2c1cccc2S(=O)(=O)O.CN1CCc2c(C1)c1ccccc1n2Cc1ccccc1.CN1CCc2c(C1)c1ccccc1n2Cc1ccccc1
  • InChi: 1S/2C19H20N2.C10H8O6S2/c2*1-20-12-11-19-17(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*2-10H,11-14H2,1H3;1-6H,(H,11,12,13)(H,14,15,16)
  • InChiKey: CJUOSBUQOWKEKJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-methyl-5-(phenylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole; naphthalene-1,5-disulfonic acid
  • diazoline
  • 6153-33-9
  • EINECS 228-170-3
  • Incidal
  • Mebhydrolin napadisilate
  • Mebhydrolin napadisylate
  • Mebhydroline 1,5-naphthalenedisulfonate salt
  • Omeril
  • NCGC00017059-01
  • Mebhydrolin napadisilate (JAN)
  • Prestwick_605
  • C13254
  • Mebhydroline 1,5-naphtalenedisulfonate
  • CAS-6153-33-9
  • D01786
  • 1,5-NAPHTHALENEDISULFONIC ACID, compd. with 2,3,4,5-TETRAHYDRO-5-BENZYL-2-METHYL
  • 1,5-Naphthalenedisulfonic acid, compd. with 2,3,4,5-tetrahydro-2-methyl-5-(phenylmethyl)-1H-pyrido(4,3-b)indole (1:2)
  • 1,5-Naphthalenedisulfonic acid, compd. with 2,3,4,5-tetrahydro-5-benzyl-2-methyl-1H-pyrido(4,3-b)indol (1:2)
  • Diazolin
  • Diazolinum

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 3.16227766 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 5.011872336 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 0.3548 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.