Detailed information for compound 148671

Basic information

Technical information
  • TDR Targets ID: 148671
  • Name: 3-(cyclohexanecarbonylamino)-N-(1,3-thiazol-2 -yl)pyridine-2-carboxamide
  • MW: 330.405 | Formula: C16H18N4O2S
  • H donors: 2 H acceptors: 4 LogP: 3.19 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCCC1)Nc1cccnc1C(=O)Nc1nccs1
  • InChi: 1S/C16H18N4O2S/c21-14(11-5-2-1-3-6-11)19-12-7-4-8-17-13(12)15(22)20-16-18-9-10-23-16/h4,7-11H,1-3,5-6H2,(H,19,21)(H,18,20,22)
  • InChiKey: TXXUDVRJOSJQKQ-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(cyclohexanecarbonylamino)-N-thiazol-2-yl-pyridine-2-carboxamide
  • 3-[[cyclohexyl(oxo)methyl]amino]-N-(2-thiazolyl)-2-pyridinecarboxamide
  • 3-(cyclohexylcarbonylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
  • 3-(cyclohexanecarbonylamino)-N-thiazol-2-yl-picolinamide
  • 3-[(cyclohexyl-oxomethyl)amino]-N-(2-thiazolyl)-2-pyridinecarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli methionine aminopeptidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania donovani metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium falciparum methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative Get druggable targets OG5_126721 All targets in OG5_126721
Neospora caninum methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium ulcerans methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Candida albicans methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Brugia malayi Methionine aminopeptidase protein type I Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Toxoplasma gondii methionine aminopeptidase, type i, putative Get druggable targets OG5_126721 All targets in OG5_126721
Theileria parva methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Neospora caninum methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma japonicum ko:K01265 methionyl aminopeptidase [EC3.4.11.18], putative Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium ulcerans methionine aminopeptidase MapB Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) Get druggable targets OG5_126721 All targets in OG5_126721
Babesia bovis methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Echinococcus granulosus methionyl aminopeptidase 1 M24 family Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium vivax methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Chlamydia trachomatis methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Loa Loa (eye worm) methionine aminopeptidase type I Get druggable targets OG5_126721 All targets in OG5_126721
Babesia bovis methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) Get druggable targets OG5_126721 All targets in OG5_126721
Schistosoma japonicum Methionine aminopeptidase 1, putative Get druggable targets OG5_126721 All targets in OG5_126721
Cryptosporidium hominis methionine aminopeptidase 1 (MetAP 1) (MAP 1) (Peptidase M 1) Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium knowlesi methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) Get druggable targets OG5_126721 All targets in OG5_126721
Theileria parva methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium berghei methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Toxoplasma gondii methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium falciparum methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei gambiense methionine aminopeptidase, putative,metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Treponema pallidum methionine aminopeptidase (map) Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania braziliensis methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Neospora caninum methionine aminopeptidase, putative Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium berghei methionine aminopeptidase 1b, putative Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma brucei methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania infantum methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721
Candida albicans methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Leishmania mexicana methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium yoelii methionine aminopeptidase, type I, putative Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium vivax methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Toxoplasma gondii methionine aminopeptidase Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium yoelii methionine aminopeptidase, type I Get druggable targets OG5_126721 All targets in OG5_126721
Plasmodium knowlesi methionine aminopeptidase 1a, putative Get druggable targets OG5_126721 All targets in OG5_126721
Cryptosporidium parvum methionine aminopeptidase with MYND finger at N-terminus Get druggable targets OG5_126721 All targets in OG5_126721
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 Get druggable targets OG5_126721 All targets in OG5_126721

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 leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0052 0.3649 0.5
Loa Loa (eye worm) hypothetical protein 0.009 0.709 0.7311
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0052 0.3649 0.5
Mycobacterium ulcerans methionine aminopeptidase 0.0052 0.3649 0.5
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0052 0.3649 0.5
Brugia malayi Methionine aminopeptidase protein type I 0.0052 0.3649 0.3649
Schistosoma mansoni hypothetical protein 0.0099 0.7933 1
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0052 0.3649 0.5
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0052 0.3649 0.5
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.009 0.709 0.709
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.009 0.709 0.709
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0052 0.3649 0.5
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0052 0.3649 0.3649
Toxoplasma gondii methionine aminopeptidase 0.0052 0.3649 0.5
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0052 0.3649 0.4599
Brugia malayi Common central domain of tyrosinase family protein 0.009 0.709 0.709
Loa Loa (eye worm) hypothetical protein 0.009 0.709 0.7311
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0122 1 1
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0052 0.3649 0.5
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0052 0.3649 0.5
Chlamydia trachomatis methionine aminopeptidase 0.0052 0.3649 0.5
Toxoplasma gondii methionine aminopeptidase 0.0052 0.3649 0.5
Brugia malayi hypothetical protein 0.0096 0.763 0.763
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0052 0.3649 0.5
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0052 0.3649 0.3649
Treponema pallidum methionine aminopeptidase (map) 0.0052 0.3649 0.5
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0052 0.3649 0.5
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0052 0.3649 0.5
Brugia malayi ShTK domain containing protein 0.009 0.709 0.709
Onchocerca volvulus 0.009 0.709 0.9292
Schistosoma mansoni tyrosinase precursor 0.009 0.709 0.8938
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0052 0.3649 0.5
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0052 0.3649 0.3649
Loa Loa (eye worm) ShTK domain-containing protein 0.009 0.709 0.7311
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0052 0.3649 0.5
Loa Loa (eye worm) tyrosinase 1 0.009 0.709 0.7311
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.009 0.709 0.709
Trypanosoma brucei methionine aminopeptidase, putative 0.0052 0.3649 0.5
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0052 0.3649 0.5
Schistosoma mansoni tyrosinase precursor 0.009 0.709 0.8938
Loa Loa (eye worm) hypothetical protein 0.0118 0.9698 1
Echinococcus multilocularis jun protein 0.0122 1 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0052 0.3649 0.4599
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0052 0.3649 0.5
Loa Loa (eye worm) ShTK domain-containing protein 0.009 0.709 0.7311
Onchocerca volvulus 0.0096 0.763 1
Loa Loa (eye worm) methionine aminopeptidase type I 0.0052 0.3649 0.3762
Onchocerca volvulus 0.009 0.709 0.9292
Echinococcus granulosus jun protein 0.0122 1 1
Onchocerca volvulus 0.009 0.709 0.9292
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0052 0.3649 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0122 1 1
Schistosoma mansoni jun-related protein 0.0099 0.7933 1
Onchocerca volvulus 0.009 0.709 0.9292
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.009 0.709 0.709

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.87 uM Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli ChEMBL. 12801227
IC50 (binding) = 0.87 uM Inhibitory activity against Methionine aminopeptidase 1 from Escherichia coli ChEMBL. 12801227
IC50 (binding) > 100 uM Inhibitory activity against type I methionine aminopeptidase from Saccharomyces cerevisiae ChEMBL. 12801227
IC50 (binding) > 100 uM Inhibitory activity against type I methionine aminopeptidase from Saccharomyces cerevisiae ChEMBL. 12801227
Ratio (binding) < 0.0087 Selectivity of inhibitory activity of Methionine aminopeptidase 1 from Escherichia coli to Methionine aminopeptidase 1 from Saccharomyces cerevisiae ChEMBL. 12801227

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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