Detailed information for compound 594618

Basic information

Technical information
  • TDR Targets ID: 594618
  • Name: N-(6-chloro-1,3-benzothiazol-2-yl)thiadiazole -4-carboxamide
  • MW: 296.756 | Formula: C10H5ClN4OS2
  • H donors: 1 H acceptors: 4 LogP: 3.03 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)sc(n2)NC(=O)c1csnn1
  • InChi: 1S/C10H5ClN4OS2/c11-5-1-2-6-8(3-5)18-10(12-6)13-9(16)7-4-17-15-14-7/h1-4H,(H,12,13,16)
  • InChiKey: ZIHUXEGRVUPBBG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(6-chloro-1,3-benzothiazol-2-yl)-4-thiadiazolecarboxamide
  • N-(6-chloro-1,3-benzothiazol-2-yl)-1,2,3-thiadiazole-4-carboxamide

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) TAR-binding protein 0.0124 0.1383 0.2615
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0426 0.5288 1
Trypanosoma cruzi GMP reductase 0.0426 0.5288 0.5
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0426 0.5288 0.5
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1383 0.2582
Loa Loa (eye worm) hypothetical protein 0.0023 0.0076 0.0143
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0651 0.1104
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0061 0.0071
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0076 0.0143
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0141 0.1596 0.2918
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0426 0.5288 1
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0426 0.5288 1
Schistosoma mansoni hypothetical protein 0.0031 0.0181 0.03
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0426 0.5288 0.5
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0076 0.0143
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.3502 0.5
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0426 0.5288 1
Brugia malayi GMP reductase 0.0186 0.2186 0.4048
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0181 0.0203
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.3502 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.023 0.0393
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0181 0.03
Brugia malayi RNA recognition motif domain containing protein 0.0124 0.1383 0.2507
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0288 0.3502 1
Schistosoma mansoni hypothetical protein 0.0068 0.0651 0.1192
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1383 0.2582
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.3502 0.5
Brugia malayi hypothetical protein 0.0035 0.023 0.0297
Trypanosoma cruzi GMP reductase 0.0426 0.5288 0.5
Schistosoma mansoni hypothetical protein 0.0334 0.4098 0.7739
Schistosoma mansoni hypothetical protein 0.0035 0.023 0.0393
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.3502 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0314 0.0594
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0186 0.2186 0.4048
Loa Loa (eye worm) hypothetical protein 0.0023 0.0076 0.0143
Schistosoma mansoni bromodomain containing protein 0.0062 0.0574 0.1047
Entamoeba histolytica hypothetical protein 0.0035 0.023 0.0451
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0422 0.523 1
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0235 0.2821 0.5333
Loa Loa (eye worm) hypothetical protein 0.0037 0.026 0.0492
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0141 0.1596 0.3019
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0426 0.5288 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.3502 0.5
Leishmania major inosine-5-monophosphate dehydrogenase 0.0426 0.5288 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0181 0.0343
Entamoeba histolytica hypothetical protein 0.0035 0.023 0.0451
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0181 0.0158
Brugia malayi TAR-binding protein 0.0124 0.1383 0.2507
Trypanosoma brucei GMP reductase 0.0426 0.5288 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0181 0.0343
Echinococcus multilocularis geminin 0.0334 0.4098 0.4084
Schistosoma mansoni hypothetical protein 0.0031 0.0181 0.03
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0426 0.5288 0.5277
Echinococcus multilocularis GPCR, family 2 0.0031 0.0181 0.0158
Loa Loa (eye worm) RNA binding protein 0.0124 0.1383 0.2615
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0288 0.3502 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.023 0.0207
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0076 0.0143
Loa Loa (eye worm) hypothetical protein 0.0068 0.0651 0.1231
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0124 0.1383 0.2615
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0076 0.0143
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0141 0.1596 0.3019
Loa Loa (eye worm) hypothetical protein 0.0023 0.0076 0.0143
Loa Loa (eye worm) IMP dehydrogenase 1 0.0426 0.5288 1
Entamoeba histolytica hypothetical protein 0.0035 0.023 0.0451
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0037 0.007
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.1055 0.1996
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0426 0.5288 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.1055 0.188
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1383 0.2582
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1383 0.2582
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0181 0.0203
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0191 0.2245 0.4244
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0076 0.0143
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.1055 0.188
Schistosoma mansoni hypothetical protein 0.0334 0.4098 0.7739
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0426 0.5288 0.5
Loa Loa (eye worm) GMP reductase 0.0186 0.2186 0.4133
Brugia malayi Bromodomain containing protein 0.0073 0.0722 0.124
Brugia malayi PHD-finger family protein 0.0024 0.0091 0.0029
Onchocerca volvulus Putative GMP reductase 0.0186 0.2186 1
Leishmania major guanosine monophosphate reductase 0.0426 0.5288 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0061 0.0037
Brugia malayi RNA binding protein 0.0124 0.1383 0.2507
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0 0.5
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0076 0.0143
Treponema pallidum fructose-bisphosphate aldolase 0.0288 0.3502 0.5
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0426 0.5288 0.5
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0235 0.2821 0.5266
Loa Loa (eye worm) hypothetical protein 0.0099 0.1055 0.1996
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.023 0.0392
Echinococcus multilocularis tar DNA binding protein 0.0124 0.1383 0.1362
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0422 0.523 1
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0422 0.523 0.9889
Brugia malayi Bromodomain containing protein 0.0037 0.026 0.0353
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.3502 0.5
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0191 0.2245 0.4161
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0076 0.0143
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0076 0.0143
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.3502 0.5
Mycobacterium ulcerans hypothetical protein 0.0023 0.0076 0.0143
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.023 0.0207
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0529 0.0507
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0186 0.2186 0.4048
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0181 0.03
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0529 0.0961
Echinococcus granulosus tar DNA binding protein 0.0124 0.1383 0.2582
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0076 0.0143
Giardia lamblia Fructose-bisphosphate aldolase 0.0288 0.3502 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.029 0.0549
Loa Loa (eye worm) hypothetical protein 0.0069 0.0668 0.1264
Schistosoma mansoni hypothetical protein 0.002 0.0037 0.0025
Toxoplasma gondii IMP dehydrogenas 0.0426 0.5288 0.5
Schistosoma mansoni hypothetical protein 0.0031 0.0181 0.03
Echinococcus granulosus geminin 0.0334 0.4098 0.7739
Schistosoma mansoni hypothetical protein 0.0031 0.0181 0.03
Echinococcus granulosus GPCR family 2 0.0031 0.0181 0.03
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.023 0.0393
Entamoeba histolytica hypothetical protein 0.0035 0.023 0.0451
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0061 0.0071
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0181 0.0158
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0426 0.5288 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.3502 0.5
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1383 0.2582

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -5.77 % 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) = -1.77 % 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) = -1.39 % 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) = 3 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 15 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 96 % 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 (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 frequency index (IFI) (functional) = 0 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 3 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 15 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 96 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 99 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.1 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.786 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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