Detailed information for compound 1328369

Basic information

Technical information
  • TDR Targets ID: 1328369
  • Name: N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-4- carboxamide
  • MW: 248.304 | Formula: C11H12N4OS
  • H donors: 1 H acceptors: 4 LogP: 1.65 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1nnc(s1)NC(=O)c1ccncc1
  • InChi: 1S/C11H12N4OS/c1-2-3-9-14-15-11(17-9)13-10(16)8-4-6-12-7-5-8/h4-7H,2-3H2,1H3,(H,13,15,16)
  • InChiKey: BFCHCAVXVRRZOU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(5-propyl-1,3,4-thiadiazol-2-yl)-4-pyridinecarboxamide
  • N-(5-propyl-1,3,4-thiadiazol-2-yl)isonicotinamide
  • STOCK2S-22956
  • MLS000112222
  • SMR000108136
  • ZINC00508335

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens galactosidase, alpha Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis Glycoside hydrolase, family 27 Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase precursor, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus granulosus Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum expressed protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi Melibiase family protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum ko:K01204 alpha-N-acetylgalactosaminidase [EC3.2.1.49], putative Get druggable targets OG5_127620 All targets in OG5_127620
Toxoplasma gondii melibiase subfamily protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
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
Leishmania major glycerol uptake protein, putative 0.0157 0.1643 0.5
Brugia malayi MBOAT family protein 0.0157 0.1643 0.1586
Trichomonas vaginalis transmembrane protein nessy, putative 0.0157 0.1643 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0018 0.0143 0.0135
Trichomonas vaginalis conserved hypothetical protein 0.0157 0.1643 1
Loa Loa (eye worm) MBOAT family protein 0.0157 0.1643 0.1584
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0039 0.0238
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0157 0.1643 0.1603
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.066 0.0525
Brugia malayi CXXC zinc finger family protein 0.0035 0.0327 0.026
Trypanosoma cruzi GUP1, putative 0.0157 0.1643 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0039 0.0238
Leishmania major glycerol uptake protein, putative 0.0157 0.1643 0.5
Loa Loa (eye worm) MBOAT family protein 0.0157 0.1643 0.1584
Leishmania major hypothetical protein, conserved 0.0157 0.1643 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0548 0.0481
Schistosoma mansoni cpg binding protein 0.0037 0.0348 0.034
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0124 0.1283 0.1241
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0157 0.1643 0.1636
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0936 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0548 0.0503
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0548 0.0503
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0157 0.1643 0.5
Loa Loa (eye worm) hypothetical protein 0.0157 0.1643 0.1584
Trypanosoma cruzi glycerol uptake protein, putative 0.0157 0.1643 0.5
Leishmania major glycerol uptake protein, putative 0.0157 0.1643 0.5
Schistosoma mansoni cpg binding protein 0.0035 0.0327 0.0319
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0124 0.1283 0.1241
Loa Loa (eye worm) hypothetical protein 0.0157 0.1643 0.1584
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.1283 0.1275
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0039 0.0238
Loa Loa (eye worm) MBOAT family protein 0.0157 0.1643 0.1584
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0548 0.0483
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0039 0.0238
Entamoeba histolytica hypothetical protein, conserved 0.0157 0.1643 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0039 0.0238
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0327 0.0259
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0157 0.1643 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0039 0.0238
Toxoplasma gondii melibiase subfamily protein 0.0124 0.1283 0.1156
Schistosoma mansoni hypothetical protein 0.0157 0.1643 0.1636
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.084 0.0833
Trypanosoma cruzi glycerol uptake protein, putative 0.0157 0.1643 0.5
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0157 0.1643 0.1603
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.007 0.0023
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0039 0.0238
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.007 0.0023
Brugia malayi MBOAT family protein 0.0157 0.1643 0.1586
Trypanosoma cruzi GUP1, putative 0.0157 0.1643 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0548 0.0503
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0039 0.0238
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0157 0.1643 0.1603
Trichomonas vaginalis conserved hypothetical protein 0.0157 0.1643 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0548 0.054
Loa Loa (eye worm) hypothetical protein 0.0157 0.1643 0.1584
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0047 0.0039
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0157 0.1643 0.1636
Entamoeba histolytica hypothetical protein 0.0157 0.1643 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0548 0.054
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0082 0.084 0.5113
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.1283 0.1275
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0039 0.0238
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0936 1 1
Brugia malayi MBOAT family protein 0.0157 0.1643 0.1586
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0936 1 1
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0936 1 0.5
Entamoeba histolytica vacuolar protein sorting 26 0.0157 0.1643 0.5
Loa Loa (eye worm) hypothetical protein 0.0778 0.8312 0.83
Echinococcus granulosus cpg binding protein 0.0037 0.0348 0.0302
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0039 0.0238
Toxoplasma gondii hypothetical protein 0.0157 0.1643 0.1522
Schistosoma mansoni cpg binding protein 0.0037 0.0348 0.034
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.084 0.0833
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0936 1 1
Trypanosoma brucei glycerol uptake protein, putative 0.0157 0.1643 0.5
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0157 0.1643 0.1603
Onchocerca volvulus 0.0157 0.1643 1
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0157 0.1643 0.1603
Echinococcus granulosus o acyltransferase membrane bound domain 0.0157 0.1643 0.1603
Loa Loa (eye worm) hypothetical protein 0.0082 0.084 0.0776
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0936 1 1
Brugia malayi Melibiase family protein 0.0082 0.084 0.0777
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0157 0.1643 0.1603
Brugia malayi MBOAT family protein 0.0157 0.1643 0.1586
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.1283 0.1275
Loa Loa (eye worm) hypothetical protein 0.0157 0.1643 0.1584
Echinococcus granulosus o acyltransferase membrane bound domain 0.0157 0.1643 0.1603
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0744 0.0737
Treponema pallidum alginate O-acetylation protein (algI) 0.0157 0.1643 0.5
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0157 0.1643 0.5
Echinococcus granulosus o acyltransferase membrane bound domain 0.0157 0.1643 0.1603
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0548 0.0503
Echinococcus granulosus sterol O acyltransferase 1 0.0157 0.1643 0.1603
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0157 0.1643 0.1603
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0039 0.0238
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0039 0.0238
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0936 1 1
Trichomonas vaginalis helicase, putative 0.0008 0.0039 0.0238
Brugia malayi MBOAT family protein 0.0157 0.1643 0.1586
Schistosoma mansoni sterol O-acyltransferase 1 0.0157 0.1643 0.1636
Brugia malayi Hhat protein 0.0157 0.1643 0.1586
Trypanosoma cruzi glycerol uptake protein, putative 0.0157 0.1643 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0039 0.0238
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0157 0.1643 0.1636
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0157 0.1643 0.1584
Loa Loa (eye worm) hhat protein 0.0157 0.1643 0.1584
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0157 0.1643 0.1636
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0157 0.1643 0.1603
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0157 0.1643 0.1636
Trichomonas vaginalis conserved hypothetical protein 0.0157 0.1643 1
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0157 0.1643 0.1603
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0157 0.1643 0.1603
Trypanosoma brucei glycerol uptake protein, putative 0.0157 0.1643 0.5
Echinococcus multilocularis sterol O acyltransferase 1 0.0157 0.1643 0.1603
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0936 1 0.5
Schistosoma mansoni zinc finger protein 0.0157 0.1643 0.1636
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.1283 0.1275
Trichomonas vaginalis porcupine, putative 0.0157 0.1643 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0039 0.0238
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0039 0.0238
Leishmania major glycerol uptake protein, putative 0.0157 0.1643 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0548 0.054
Loa Loa (eye worm) hhat protein 0.0157 0.1643 0.1584
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0039 0.0238
Leishmania major glycerol uptake protein, putative 0.0157 0.1643 0.5
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0124 0.1283 0.1241
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0157 0.1643 0.1603
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0039 0.0238
Echinococcus multilocularis cpg binding protein 0.0037 0.0348 0.0302

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 89.1251 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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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