Detailed information for compound 1377828

Basic information

Technical information
  • TDR Targets ID: 1377828
  • Name: 5-piperidin-1-yl-1,3,4-thiadiazol-2-amine
  • MW: 184.262 | Formula: C7H12N4S
  • H donors: 1 H acceptors: 2 LogP: 1.32 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nnc(s1)N1CCCCC1
  • InChi: 1S/C7H12N4S/c8-6-9-10-7(12-6)11-4-2-1-3-5-11/h1-5H2,(H2,8,9)
  • InChiKey: ULKCIZIQEBWQFJ-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-(1-piperidyl)-1,3,4-thiadiazol-2-amine
  • (5-piperidino-1,3,4-thiadiazol-2-yl)amine
  • MLS000095832
  • SMR000031380
  • TOS-BB-1081
  • ChemDiv2_002978

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057

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
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.2977 0.2977
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.3578 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.3578 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.3578 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.2977 0.2977
Onchocerca volvulus 0.0004 0 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.3578 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 1 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.2977 0.8318
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.2977 0.2977
Onchocerca volvulus 0.0004 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.3578 0.3578
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.2977 0.8318
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.3578 0.3578
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.2977 0.2977
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.3578 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.3578 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.3578 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.2977 0.8318
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.3578 1
Schistosoma mansoni ap endonuclease 0.0022 0.3578 0.3578
Onchocerca volvulus Putative neutral sphingomyelinase 0.0004 0 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.3578 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.2977 0.8318
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.2977 0.8318
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.3578 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.3578 1
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.2977 0.8318
Schistosoma mansoni ap endonuclease 0.0022 0.3578 0.3578
Toxoplasma gondii exonuclease III APE 0.0022 0.3578 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.2977 0.8318
Brugia malayi Isocitrate dehydrogenase 0.0019 0.2977 0.2977
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.2977 0.2977
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.2977 0.2977
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.3578 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.2977 0.2977
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.3578 0.3578
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.2977 0.8318
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.2977 0.8318
Brugia malayi isocitrate dehydrogenase 0.0019 0.2977 0.2977
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.3578 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.2977 0.2977
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.3578 0.3578
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.2977 0.8318
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.3578 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5012 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.6511 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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