Detailed information for compound 1532643

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 264.155 | Formula: C7H3Cl2N3S2
  • H donors: 0 H acceptors: 1 LogP: 3.41 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ncccc1/N=c/1\ssnc1Cl
  • InChi: 1S/C7H3Cl2N3S2/c8-5-4(2-1-3-10-5)11-7-6(9)12-14-13-7/h1-3H/b11-7-
  • InChiKey: KVCIOTHELOOCLV-XFFZJAGNSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mannose phosphate isomerase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani phosphomannose isomerase Get druggable targets OG5_127555 All targets in OG5_127555
Leishmania infantum phosphomannose isomerase Get druggable targets OG5_127555 All targets in OG5_127555
Plasmodium knowlesi mannose-6-phosphate isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Loa Loa (eye worm) mannose-6-phosphate isomerase Get druggable targets OG5_127555 All targets in OG5_127555
Trypanosoma congolense phosphomannose isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Plasmodium vivax mannose-6-phosphate isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Theileria parva mannose-6-phosphate isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Mycobacterium tuberculosis Probable mannose-6-phosphate isomerase ManA (phosphomannose isomerase) (phosphomannoisomerase) (PMI) (phosphohexoisomerase) (pho Get druggable targets OG5_127555 All targets in OG5_127555
Candida albicans mannose-6-phosphate isomerase capable of functionally substituting for S. cerevisiae PMI40 (YER003C) Get druggable targets OG5_127555 All targets in OG5_127555
Schistosoma mansoni mannose-6-phosphate isomerase Get druggable targets OG5_127555 All targets in OG5_127555
Trichomonas vaginalis mannose-6-phosphate isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Leishmania major phosphomannose isomerase Get druggable targets OG5_127555 All targets in OG5_127555
Plasmodium yoelii Phosphomannose isomerase type I, putative Get druggable targets OG5_127555 All targets in OG5_127555
Neospora caninum hypothetical protein Get druggable targets OG5_127555 All targets in OG5_127555
Toxoplasma gondii phosphomannose isomerase type I protein Get druggable targets OG5_127555 All targets in OG5_127555
Brugia malayi mannose-6-phosphate isomerase, class I family protein Get druggable targets OG5_127555 All targets in OG5_127555
Schistosoma japonicum ko:K01809 mannose-6-phosphate isomerase [EC5.3.1.8], putative Get druggable targets OG5_127555 All targets in OG5_127555
Trypanosoma cruzi phosphomannose isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Plasmodium berghei mannose-6-phosphate isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Cryptosporidium parvum mannose-6-phosphate isomerase Get druggable targets OG5_127555 All targets in OG5_127555
Trypanosoma brucei phosphomannose isomerase Get druggable targets OG5_127555 All targets in OG5_127555
Plasmodium falciparum mannose-6-phosphate isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Brugia malayi mannose-6-phosphate isomerase, class I family protein Get druggable targets OG5_127555 All targets in OG5_127555
Mycobacterium leprae probable mannose-6-phosphate isomerase ManA (PHOSPHOMANNOSE ISOMERASE) (PHOSPHOMANNOISOMERASE) (PMI) (PHOSPHOHEXOISOMERASE) (PHO Get druggable targets OG5_127555 All targets in OG5_127555
Candida albicans mannose-6-phosphate isomerase capable of functionally substituting for S. cerevisiae PMI40 (YER003C) Get druggable targets OG5_127555 All targets in OG5_127555
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_127555 All targets in OG5_127555
Echinococcus granulosus mannose 6 phosphate isomerase Get druggable targets OG5_127555 All targets in OG5_127555
Babesia bovis phosphomannose isomerase type I family protein Get druggable targets OG5_127555 All targets in OG5_127555
Entamoeba histolytica phosphomannose isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Mycobacterium ulcerans mannose-6-phosphate isomerase ManA Get druggable targets OG5_127555 All targets in OG5_127555
Loa Loa (eye worm) mannose-6-phosphate isomerase Get druggable targets OG5_127555 All targets in OG5_127555
Leishmania mexicana phosphomannose isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Trypanosoma brucei gambiense phosphomannose isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Echinococcus multilocularis mannose 6 phosphate isomerase Get druggable targets OG5_127555 All targets in OG5_127555
Trypanosoma cruzi phosphomannose isomerase, putative Get druggable targets OG5_127555 All targets in OG5_127555
Leishmania braziliensis phosphomannose isomerase Get druggable targets OG5_127555 All targets in OG5_127555

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
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0537 0.0764
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.092 0.0563
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0018 0.0556 0.0792
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.2727 0.3018
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0475 0.0606
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.0556 0.0792
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0.0556 0.0191
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.2727 0.3885
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.2727 0.3417
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.092 0.131
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.7793 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0537 0.0058
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0891 0.0489
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0117 0.6983 0.892
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0018 0.0556 0.0087
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.1536 0.1592
Mycobacterium tuberculosis Probable dehydrogenase 0.0117 0.6983 0.892
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.1536 0.2189
Plasmodium vivax glutathione reductase, putative 0.0051 0.2727 0.3417
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.7793 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0556 0.0654
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.092 0.131
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0117 0.6983 0.892
Chlamydia trachomatis pyruvate kinase 0.0033 0.1536 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.092 0.1175
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.092 0.0046
Trichomonas vaginalis mannose-6-phosphate isomerase, putative 0.0117 0.7019 1
Echinococcus granulosus pyruvate kinase 0.0017 0.0499 0.071
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.092 0.1175
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.1536 1
Schistosoma mansoni pyruvate kinase 0.0033 0.1536 0.1536
Schistosoma mansoni mannose-6-phosphate isomerase 0.0117 0.7019 0.7019
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0018 0.0556 0.0087
Entamoeba histolytica mannose-6-phosphate isomerase, putative 0.0054 0.2891 0.3263
Echinococcus multilocularis pyruvate kinase 0.0017 0.0499 0.071
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0537 0.0058
Brugia malayi AMP-binding enzyme family protein 0.0023 0.092 0.1124
Loa Loa (eye worm) glutathione reductase 0.0051 0.2727 0.3018
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0117 0.7019 0.9001
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0013 0.025 0.0259
Echinococcus multilocularis pyruvate kinase 0.0033 0.1536 0.2189
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.1536 0.2189
Brugia malayi glutathione reductase 0.0051 0.2727 0.3458
Echinococcus granulosus pyruvate kinase 0.0033 0.1536 0.2189
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.2727 0.3885
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.013 0.7829 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.1536 0.1517
Leishmania major pyruvate kinase 0.0033 0.1536 0.1517
Trypanosoma cruzi phosphomannose isomerase, putative 0.0117 0.7019 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.2727 0.3483
Plasmodium vivax pyruvate kinase, putative 0.0033 0.1536 0.1592
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.1536 0.1517
Mycobacterium tuberculosis Probable mannose-6-phosphate isomerase ManA (phosphomannose isomerase) (phosphomannoisomerase) (PMI) (phosphohexoisomerase) (pho 0.0064 0.3532 0.4512
Leishmania major phosphomannose isomerase 0.0117 0.7019 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0018 0.0556 0.0087
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.0556 0.0792
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.1536 0.1517
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0013 0.025 0.0259
Echinococcus multilocularis pyruvate kinase 0.0017 0.0499 0.071
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0117 0.7019 0.8934
Trypanosoma brucei trypanothione reductase 0.0051 0.2727 0.3359
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0018 0.0556 0.0792
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.092 0.131
Plasmodium falciparum thioredoxin reductase 0.0051 0.2727 0.3417
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0475 0.0606
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.092 0.131
Trypanosoma brucei phosphomannose isomerase 0.0117 0.7019 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.092 0.1175
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0556 1
Echinococcus multilocularis pyruvate kinase 0.0026 0.1087 0.1549
Echinococcus multilocularis pyruvate kinase 0.0033 0.1536 0.2189
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.092 0.0046
Plasmodium falciparum mannose-6-phosphate isomerase, putative 0.0117 0.7019 1
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.1536 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.092 0.0563
Loa Loa (eye worm) hypothetical protein 0.0033 0.1536 0.1378
Mycobacterium ulcerans mannose-6-phosphate isomerase ManA 0.0117 0.7019 1
Echinococcus granulosus mannose 6 phosphate isomerase 0.0117 0.7019 1
Plasmodium falciparum glutathione reductase 0.0051 0.2727 0.3417
Loa Loa (eye worm) hypothetical protein 0.0023 0.092 0.0528
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.1536 0.1962
Brugia malayi AMP-binding enzyme family protein 0.0023 0.092 0.1124
Trichomonas vaginalis mercuric reductase, putative 0.0018 0.0556 0.0792
Mycobacterium leprae Probable pyruvate kinase PykA 0.0033 0.1536 0.1962
Echinococcus granulosus pyruvate kinase 0.0017 0.0499 0.071
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0018 0.0556 0.0087
Toxoplasma gondii phosphomannose isomerase type I protein 0.0117 0.7019 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0018 0.0556 0.0549
Plasmodium falciparum glutathione reductase 0.0018 0.0556 0.0087
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.092 0.131
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.013 0.7829 1
Echinococcus granulosus pyruvate kinase 0.0017 0.0499 0.071
Trichomonas vaginalis glutathione reductase, putative 0.0018 0.0556 0.0792
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.092 0.1175
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.013 0.7829 1
Plasmodium falciparum thioredoxin reductase 0.0018 0.0556 0.0087
Echinococcus granulosus pyruvate kinase 0.0033 0.1536 0.2189
Mycobacterium tuberculosis Probable oxidoreductase 0.013 0.7829 1
Mycobacterium ulcerans pyruvate kinase 0.0033 0.1536 0.2189
Brugia malayi AMP-binding enzyme family protein 0.0023 0.092 0.1124
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.092 0.0563
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0117 0.6983 0.892
Loa Loa (eye worm) hypothetical protein 0.0023 0.092 0.0528
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0537 0.0685
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.092 0.0046
Echinococcus multilocularis pyruvate kinase 0.0017 0.0499 0.071
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0117 0.7019 0.8934
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0475 0.0606
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.092 0.131
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.1536 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0891 0.0489
Echinococcus multilocularis mannose 6 phosphate isomerase 0.0117 0.7019 1
Brugia malayi Thioredoxin reductase 0.0051 0.2727 0.3458
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0117 0.6983 0.892
Mycobacterium tuberculosis Probable reductase 0.0117 0.6983 0.892
Mycobacterium leprae probable mannose-6-phosphate isomerase ManA (PHOSPHOMANNOSE ISOMERASE) (PHOSPHOMANNOISOMERASE) (PMI) (PHOSPHOHEXOISOMERASE) (PHO 0.0064 0.3532 0.4512
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.092 0.131
Treponema pallidum NADH oxidase 0.0018 0.0556 1
Trypanosoma brucei pyruvate kinase 1 0.0033 0.1536 0.1517
Loa Loa (eye worm) pyruvate kinase 0.0033 0.1536 0.1378
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.2727 0.3359
Toxoplasma gondii NADPH-glutathione reductase 0.0018 0.0556 0.0087
Trypanosoma cruzi phosphomannose isomerase, putative 0.0117 0.7019 1
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.1536 0.192
Entamoeba histolytica phosphomannose isomerase, putative 0.0117 0.7019 1
Loa Loa (eye worm) pyruvate kinase 0.0033 0.1536 0.1378
Schistosoma mansoni pyruvate kinase 0.0033 0.1536 0.1536
Plasmodium vivax mannose-6-phosphate isomerase, putative 0.0117 0.7019 1
Schistosoma mansoni pyruvate kinase 0.0017 0.0499 0.0499
Leishmania major pyruvate kinase 0.0033 0.1536 0.1517
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0556 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0018 0.0556 0.071
Plasmodium falciparum pyruvate kinase 0.0033 0.1536 0.1592
Toxoplasma gondii thioredoxin reductase 0.0051 0.2727 0.3417
Loa Loa (eye worm) pyruvate kinase 0.0033 0.1536 0.1378
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0475 0.0606
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.1536 0.192
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0117 0.6983 0.892
Mycobacterium ulcerans hypothetical protein 0.0023 0.092 0.131
Brugia malayi MH2 domain containing protein 0.0129 0.7793 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.0556 0.0556
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0117 0.7019 0.9001
Giardia lamblia Pyruvate kinase 0.0033 0.1536 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.092 0.0528
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0018 0.0556 0.0792
Leishmania major trypanothione reductase 0.0051 0.2727 0.3359
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0018 0.0556 0.0087

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 9.88 uM PUBCHEM_BIOASSAY: Confirmation of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1209, AID1220, AID1545, AID1553, AID1574, AID1620] 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.

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