Detailed information for compound 595594

Basic information

Technical information
  • TDR Targets ID: 595594
  • Name: 4-methoxy-1,3-benzothiazole-2,6-diamine
  • MW: 195.242 | Formula: C8H9N3OS
  • H donors: 2 H acceptors: 1 LogP: 1.32 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(N)cc2c1nc(s2)N
  • InChi: 1S/C8H9N3OS/c1-12-5-2-4(9)3-6-7(5)11-8(10)13-6/h2-3H,9H2,1H3,(H2,10,11)
  • InChiKey: CYICLOPCYFOPRK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2-amino-4-methoxy-1,3-benzothiazol-6-yl)amine
  • BAS 00458695
  • Oprea1_410857
  • Oprea1_589125
  • ST5339670
  • ZINC00247956
  • EU-0034768
  • 4-Methoxy-benzothiazole-2,6-diamine

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0157 0.1809 0.581
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.1607 0.1607
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0032 0.0103
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0184 0.0184
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.1514 0.1514
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.2858 0.2858
Brugia malayi hypothetical protein 0.0228 0.2858 0.9179
Loa Loa (eye worm) hypothetical protein 0.0044 0.0133 0.0427
Echinococcus granulosus geminin 0.0552 0.7628 0.7628
Brugia malayi mbt repeat family protein 0.0047 0.0184 0.059
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0001 0.0001
Schistosoma mansoni transient receptor potential channel 0.0062 0.0401 0.04
Echinococcus multilocularis short transient receptor potential channel 6 0.0062 0.0401 0.0401
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0032 0.5
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0048 0.5
Brugia malayi beta-lactamase 0.0037 0.0032 0.0103
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0926 0.2975
Schistosoma mansoni hypothetical protein 0.0552 0.7628 0.7628
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0179 0.2128 0.2128
Echinococcus multilocularis transient receptor potential gamma protein 0.0094 0.0869 0.0869
Loa Loa (eye worm) hypothetical protein 0.0037 0.0032 0.0103
Loa Loa (eye worm) hypothetical protein 0.007 0.0521 0.1673
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.2858 0.2858
Echinococcus granulosus transient receptor potential gamma protein 0.0094 0.0869 0.0869
Mycobacterium leprae Probable lipase LipE 0.0037 0.0032 0.5
Brugia malayi mbt repeat family protein 0.0047 0.0184 0.059
Loa Loa (eye worm) hypothetical protein 0.0037 0.0032 0.0103
Loa Loa (eye worm) MBCTL1 0.0054 0.028 0.0901
Loa Loa (eye worm) hypothetical protein 0.0046 0.0161 0.0517
Loa Loa (eye worm) hypothetical protein 0.0054 0.028 0.0901
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.0134 1
Schistosoma mansoni alpha-glucosidase 0.0135 0.1485 0.1485
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0012 0.0012
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0032 0.0032
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0012 0.0011
Brugia malayi Bromodomain containing protein 0.0078 0.0635 0.2038
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0186 0.2238 0.2238
Brugia malayi beta-lactamase family protein 0.0037 0.0032 0.0103
Mycobacterium ulcerans hypothetical protein 0.0037 0.0032 0.5
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.028 0.028
Onchocerca volvulus 0.0047 0.0184 0.1904
Onchocerca volvulus 0.0047 0.0173 0.177
Entamoeba histolytica hypothetical protein 0.0036 0.0012 0.2393
Echinococcus multilocularis geminin 0.0552 0.7628 0.7628
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0184 0.0184
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.0134 1
Leishmania major hypothetical protein, conserved 0.0037 0.0032 1
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.1607 0.5161
Loa Loa (eye worm) hypothetical protein 0.0037 0.0032 0.0103
Loa Loa (eye worm) hypothetical protein 0.0094 0.0869 0.2793
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0032 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0032 0.0103
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0011 0.0011
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0011 0.0011
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0012 0.0012
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0184 0.0184
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.028 0.028
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0184 0.0183
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0032 0.2347
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0032 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0926 0.2975
Brugia malayi hypothetical protein 0.0036 0.0012 0.0039
Echinococcus granulosus transient receptor potential ion channel A 0.0091 0.0823 0.0823
Echinococcus granulosus lysosomal alpha glucosidase 0.0157 0.1809 0.1809
Loa Loa (eye worm) beta-lactamase 0.0037 0.0032 0.0103
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0411 0.0411
Entamoeba histolytica hypothetical protein 0.0036 0.0012 0.2393
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0032 0.2347
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0001 0.0002
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0032 0.0103
Schistosoma mansoni microtubule-associated protein tau 0.0712 1 1
Trichomonas vaginalis esterase, putative 0.0037 0.0032 0.2347
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0032 0.0031
Brugia malayi Glycosyl hydrolases family 31 protein 0.0157 0.1809 0.581
Schistosoma mansoni transient receptor potential channel 0.0094 0.0869 0.0869
Loa Loa (eye worm) hypothetical protein 0.0059 0.0355 0.1139
Echinococcus multilocularis lysosomal alpha glucosidase 0.0157 0.1809 0.1809
Schistosoma mansoni hypothetical protein 0.0288 0.3731 0.3731
Echinococcus multilocularis microtubule associated protein 2 0.0712 1 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.028 0.028
Echinococcus granulosus short transient receptor potential channel 6 0.0062 0.0401 0.0401
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0048 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0411 0.0411
Loa Loa (eye worm) hypothetical protein 0.0047 0.0184 0.059
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0001 0.0002
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0186 0.2238 0.2238
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0032 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.0012 0.2393
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0179 0.2128 0.2128
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0048 0.5
Schistosoma mansoni hypothetical protein 0.0047 0.0173 0.0172
Loa Loa (eye worm) acetyltransferase 0.0144 0.1607 0.5161
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.1607 0.1606
Schistosoma mansoni transient receptor potential channel 0.0062 0.0401 0.04
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0032 0.2347
Schistosoma mansoni bromodomain containing protein 0.0066 0.0463 0.0462
Echinococcus multilocularis lysosomal alpha glucosidase 0.0157 0.1809 0.1809
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0032 0.2347
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.0134 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0228 0.2858 0.9179
Schistosoma mansoni hypothetical protein 0.0036 0.0012 0.0011
Onchocerca volvulus 0.0091 0.0829 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.028 0.028
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0184 0.059
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0173 0.0556
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0246 0.3113 1
Mycobacterium ulcerans lipase LipD 0.0037 0.0032 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.0134 0.0134
Schistosoma mansoni survival motor neuron protein 0.0047 0.0173 0.0172
Schistosoma mansoni hypothetical protein 0.0067 0.047 0.0469
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0184 0.0184
Mycobacterium ulcerans beta-lactamase 0.0037 0.0032 0.5
Loa Loa (eye worm) hypothetical protein 0.0067 0.047 0.151
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0184 0.1904
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0237 0.2978 1
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.047 0.151
Schistosoma mansoni hypothetical protein 0.0552 0.7628 0.7628
Brugia malayi Bromodomain containing protein 0.0041 0.0097 0.0312
Loa Loa (eye worm) hypothetical protein 0.0038 0.0047 0.0151
Loa Loa (eye worm) hypothetical protein 0.0246 0.3113 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0032 0.2347
Schistosoma mansoni alpha-glucosidase 0.0135 0.1485 0.1485
Echinococcus multilocularis short transient receptor potential channel 6 0.0062 0.0401 0.0401
Loa Loa (eye worm) hypothetical protein 0.0037 0.0032 0.0103
Brugia malayi beta-lactamase family protein 0.0037 0.0032 0.0103
Entamoeba histolytica hypothetical protein 0.0036 0.0012 0.2393
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0184 0.0183
Toxoplasma gondii ABC1 family protein 0.0037 0.0032 0.2347
Loa Loa (eye worm) hypothetical protein 0.0037 0.0032 0.0103
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.028 0.0901
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.0134 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0001 0.0001
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0032 0.0031
Echinococcus multilocularis transient receptor potential ion channel A 0.0091 0.0823 0.0823
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0184 0.0183
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0032 1
Schistosoma mansoni transient receptor potential channel 4 0.0094 0.0869 0.0869
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.0134 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0032 1
Echinococcus granulosus short transient receptor potential channel 6 0.0062 0.0401 0.0401
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.028 0.028

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -1.04 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 0 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 0 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 0.08 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 0.54 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 99 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 99 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 4.93 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = -2 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 0 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 99 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 99 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.6 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.25069 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

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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