Detailed information for compound 1020945

Basic information

Technical information
  • TDR Targets ID: 1020945
  • Name: N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-4-m ethylphenyl]-2-pyrrolidin-1-ylpyridine-4-carb oxamide
  • MW: 455.575 | Formula: C26H25N5OS
  • H donors: 2 H acceptors: 3 LogP: 4.97 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1scc(n1)c1ccc(cc1)c1cc(ccc1C)NC(=O)c1ccnc(c1)N1CCCC1
  • InChi: 1S/C26H25N5OS/c1-17-4-9-21(29-25(32)20-10-11-28-24(14-20)31-12-2-3-13-31)15-22(17)18-5-7-19(8-6-18)23-16-33-26(27)30-23/h4-11,14-16H,2-3,12-13H2,1H3,(H2,27,30)(H,29,32)
  • InChiKey: IYHRWNVGGMWOQE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-[4-(2-aminothiazol-4-yl)phenyl]-4-methyl-phenyl]-2-pyrrolidin-1-yl-pyridine-4-carboxamide
  • N-[3-[4-(2-amino-4-thiazolyl)phenyl]-4-methylphenyl]-2-1-pyrrolidinyl-4-pyridinecarboxamide
  • N-[3-[4-(2-aminothiazol-4-yl)phenyl]-4-methyl-phenyl]-2-pyrrolidin-1-yl-isonicotinamide
  • N-[3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-4-methyl-phenyl]-2-pyrrolidin-1-yl-pyridine-4-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 14 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania mexicana mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma cruzi mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma cruzi mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma brucei mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Candida albicans MAP kinase involved in osmoregulation Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania donovani mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania infantum mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Schistosoma japonicum ko:K04441 p38 MAP kinase, putative Get druggable targets OG5_128610 All targets in OG5_128610
Candida albicans MAP kinase involved in osmoregulation Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma congolense mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus granulosus mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Trypanosoma brucei gambiense mitogen-activated protein kinase 3, putative Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus granulosus mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 14 Get druggable targets OG5_128610 All targets in OG5_128610
Echinococcus multilocularis mitogen activated protein kinase 11 Get druggable targets OG5_128610 All targets in OG5_128610
Brugia malayi P38 map kinase family protein 2 Get druggable targets OG5_128610 All targets in OG5_128610
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 14 360 aa 336 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0152 0.9228 1
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0152 0.9228 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0864 0.0864
Loa Loa (eye worm) hypothetical protein 0.012 0.7194 0.7796
Schistosoma mansoni DNA helicase recq5 0.001 0.0302 0.0302
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0683 1
Schistosoma mansoni DNA helicase recq1 0.001 0.0302 0.0302
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.1178 1
Echinococcus granulosus mitogen activated protein kinase 14 0.0152 0.9228 0.9204
Entamoeba histolytica recQ family helicase, putative 0.0013 0.0483 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0302 0.4422
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0695 0.5
Echinococcus multilocularis mitogen activated protein kinase 11 0.0152 0.9228 0.9204
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.1178 0.0981
Giardia lamblia Sgs1 DNA helicase, putative 0.001 0.0302 0.5
Schistosoma mansoni hypothetical protein 0.0164 1 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0483 0.0523
Echinococcus granulosus bloom syndrome protein 0.0024 0.1178 0.0903
Loa Loa (eye worm) hypothetical protein 0.001 0.0302 0.0327
Echinococcus granulosus mitogen activated protein kinase 11 0.0152 0.9228 0.9204
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0302 0.4422
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0997 1
Echinococcus multilocularis geminin 0.0164 1 1
Echinococcus multilocularis mitogen activated protein kinase 11 0.0152 0.9228 0.9204
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.1178 1
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0152 0.9228 1
Echinococcus multilocularis mitogen activated protein kinase 14 0.0152 0.9228 0.9204
Schistosoma mansoni hypothetical protein 0.0164 1 1
Brugia malayi P38 map kinase family protein 2 0.0152 0.9228 1
Echinococcus multilocularis bloom syndrome protein 0.0024 0.1178 0.0903
Loa Loa (eye worm) RecQ helicase 0.0024 0.1178 0.1276
Echinococcus multilocularis mitogen activated protein kinase 14 0.0152 0.9228 0.9204
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.0302 0.0327
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0152 0.9228 1
Treponema pallidum ATP-dependent DNA helicase 0.0005 0.00000000025388 0.5
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0152 0.9228 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 6.7 nM Displacement of fluorescent ATP competitive ligand from p38alpha ChEMBL. 18789685

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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