Detailed information for compound 225007

Basic information

Technical information
  • TDR Targets ID: 225007
  • Name: 2-(butylcarbamoylamino)-4-methyl-N-(2,4,6-tri methylphenyl)-1,3-thiazole-5-carboxamide
  • MW: 374.5 | Formula: C19H26N4O2S
  • H donors: 3 H acceptors: 3 LogP: 4.21 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCNC(=O)Nc1nc(c(s1)C(=O)Nc1c(C)cc(cc1C)C)C
  • InChi: 1S/C19H26N4O2S/c1-6-7-8-20-18(25)23-19-21-14(5)16(26-19)17(24)22-15-12(3)9-11(2)10-13(15)4/h9-10H,6-8H2,1-5H3,(H,22,24)(H2,20,21,23,25)
  • InChiKey: ANOOKLPIDKBMTR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(butylcarbamoylamino)-4-methyl-N-(2,4,6-trimethylphenyl)thiazole-5-carboxamide
  • 2-[[butylamino(oxo)methyl]amino]-4-methyl-N-(2,4,6-trimethylphenyl)-5-thiazolecarboxamide
  • 2-(butylcarbamoylamino)-N-mesityl-4-methyl-thiazole-5-carboxamide
  • 2-[(butylamino-oxomethyl)amino]-4-methyl-N-(2,4,6-trimethylphenyl)-5-thiazolecarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens LCK proto-oncogene, Src family tyrosine kinase Starlite/ChEMBL References
Mus musculus lymphocyte protein tyrosine kinase Starlite/ChEMBL References
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase Curated by TDR Targets References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Neospora caninum Bifunctional dihydrofolate reductase-thymidylate synthase, related Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) Get druggable targets OG5_127385 All targets in OG5_127385
Babesia bovis dihydrofolate reductase/thymidilate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus multilocularis thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania infantum dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania braziliensis dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania donovani dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium ulcerans thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium berghei bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Cryptosporidium hominis chain A, crystal structure of Dhfr Get druggable targets OG5_127385 All targets in OG5_127385
Onchocerca volvulus Get druggable targets OG5_127385 All targets in OG5_127385
Theileria parva dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania mexicana dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium yoelii thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania major dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum ko:K00560 thymidylate synthase [EC2.1.1.45], putative Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) Get druggable targets OG5_127385 All targets in OG5_127385
Brugia malayi thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium knowlesi bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus granulosus thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma brucei gambiense dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Loa Loa (eye worm) thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127385 All targets in OG5_127385
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 granulosus tyrosine protein kinase Btk29A 0.0021 0.007 0.007
Brugia malayi Variant SH3 domain containing protein 0.0018 0.005 0.005
Echinococcus granulosus thymidylate synthase 0.0364 0.2793 0.2793
Loa Loa (eye worm) thymidylate synthase 0.0364 0.2793 0.2793
Schistosoma mansoni tyrosine kinase 0.0021 0.007 0.007
Echinococcus granulosus c src tyrosine kinase 0.0021 0.007 0.007
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0021 0.007 0.007
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0943 0.7379 0.5
Echinococcus granulosus tyrosine protein kinase Lyn 0.0021 0.007 0.007
Echinococcus granulosus dihydrofolate reductase 0.1274 1 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0021 0.007 0.007
Echinococcus granulosus tyrosine protein kinase Src64B 0.0021 0.007 0.007
Brugia malayi thymidylate synthase 0.0364 0.2793 0.2793
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0021 0.007 0.007
Echinococcus multilocularis c src tyrosine kinase 0.0021 0.007 0.007
Echinococcus multilocularis growth factor receptor bound protein 2 0.0018 0.005 0.005
Chlamydia trachomatis dihydrofolate reductase 0.1274 1 0.5
Brugia malayi Variant SH3 domain containing protein 0.0018 0.005 0.005
Loa Loa (eye worm) SRC-1 0.0021 0.007 0.007
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0364 0.2793 0.2793
Schistosoma mansoni dihydrofolate reductase 0.1274 1 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.1274 1 1
Schistosoma mansoni growth factor receptor-bound protein 0.0018 0.005 0.005
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.1274 1 1
Echinococcus multilocularis NCK adaptor protein 0.0018 0.005 0.005
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0943 0.7379 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.1274 1 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0021 0.007 0.007
Brugia malayi Tyrosine-protein kinase abl-1 0.0021 0.007 0.007
Echinococcus multilocularis thymidylate synthase 0.0364 0.2793 0.2793
Echinococcus granulosus NCK adaptor protein 0.0018 0.005 0.005
Echinococcus granulosus tyrosine protein kinase Src42A 0.0021 0.007 0.007
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0021 0.007 0.007
Echinococcus granulosus growth factor receptor bound protein 2 0.0018 0.005 0.005
Brugia malayi SRC-1 0.0021 0.007 0.007
Echinococcus granulosus tyrosine protein kinase Fyn 0.0021 0.007 0.007
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0021 0.007 0.007
Loa Loa (eye worm) dihydrofolate reductase 0.1274 1 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0021 0.007 0.007
Schistosoma mansoni tyrosine kinase 0.0021 0.007 0.007
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0018 0.005 0.005
Echinococcus granulosus tyrosine protein kinase Fyn 0.0021 0.007 0.007
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0943 0.7379 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0173 0.1281 0.5
Schistosoma mansoni adapter molecule crk 0.0018 0.005 0.005
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0021 0.007 0.007
Schistosoma mansoni tyrosine kinase 0.0021 0.007 0.007
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0943 0.7379 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0021 0.007 0.007
Echinococcus multilocularis dihydrofolate reductase 0.1274 1 1
Onchocerca volvulus 0.0364 0.2793 1
Brugia malayi Dihydrofolate reductase 0.1274 1 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0018 0.005 0.005
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0021 0.007 0.007
Brugia malayi hypothetical protein 0.0173 0.1281 0.1281
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0021 0.007 0.007
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0021 0.007 0.007
Brugia malayi Sex muscle abnormal protein 5 0.0018 0.005 0.005
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0018 0.005 0.005
Schistosoma mansoni growth factor receptor-bound protein 0.0018 0.005 0.005
Echinococcus multilocularis tyrosine protein kinase Abl 0.0021 0.007 0.007
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0943 0.7379 0.5
Schistosoma mansoni nck2/grb4 0.0018 0.005 0.005
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0021 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0018 0.005 0.005
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0012 0 0.5
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0364 0.2793 0.1735
Echinococcus granulosus tyrosine protein kinase Fyn 0.0021 0.007 0.007
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0943 0.7379 0.5
Schistosoma mansoni tyrosine kinase 0.0021 0.007 0.007

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.03 uM Inhibitory activity of the compound human Lck(hLck) kinase ChEMBL. 14592495
IC50 (binding) = 0.03 uM Inhibition of human Lck in presence of ATP ChEMBL. 17154512
IC50 (binding) = 0.03 uM Inhibitory activity of the compound human Lck(hLck) kinase ChEMBL. 14592495
IC50 (binding) = 0.03 uM Inhibition of human Lck in presence of ATP ChEMBL. 17154512
IC50 (binding) = 0.07 uM In vitro inhibition of murine Lck kinase. ChEMBL. 14592495
IC50 (binding) = 0.07 uM Inhibition of murine Lck in presence of ATP ChEMBL. 17154512
IC50 (binding) = 0.07 uM In vitro inhibition of murine Lck kinase. ChEMBL. 14592495
IC50 (binding) = 0.07 uM Inhibition of murine Lck in presence of ATP ChEMBL. 17154512

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

2 literature references were collected for this gene.

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