Detailed information for compound 414217

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 418.876 | Formula: C23H19ClN4O2
  • H donors: 4 H acceptors: 3 LogP: 3.48 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)c1cn[nH]c1c1c[nH]c(c1)C(=O)NC1C(O)Cc2c1cccc2
  • InChi: 1S/C23H19ClN4O2/c24-16-6-3-5-13(8-16)18-12-26-28-21(18)15-9-19(25-11-15)23(30)27-22-17-7-2-1-4-14(17)10-20(22)29/h1-9,11-12,20,22,25,29H,10H2,(H,26,28)(H,27,30)
  • InChiKey: HJULFTQEKBTIGR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL References
Homo sapiens mitogen-activated protein kinase 10 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum IPR000164,Histone H3;IPR009072,Histone-fold,domain-containing Get druggable targets OG5_129677 All targets in OG5_129677
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129677 All targets in OG5_129677
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Stress-activated protein kinase jnk-1 Get druggable targets OG5_129677 All targets in OG5_129677
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus c-Jun N-terminal kinases Get druggable targets OG5_129677 All targets in OG5_129677
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase Get druggable targets OG5_129677 All targets in OG5_129677
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis c Jun NH2 terminal kinase Get druggable targets OG5_129677 All targets in OG5_129677
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04440 c-Jun N-terminal kinase, putative Get druggable targets OG5_129677 All targets in OG5_129677
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 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0015 0 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.1788 0.1788
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1367 0.1367
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.1788 0.5
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0279 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1788 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0015 0 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.1788 0.1788
Onchocerca volvulus 0.0015 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1367 0.1367
Onchocerca volvulus 0.0015 0 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.1788 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.1788 0.5
Echinococcus granulosus tar DNA binding protein 0.0144 0.4891 0.4891
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0279 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1367 0.1367
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1367 0.1367
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.1367 0.1367
Onchocerca volvulus 0.0015 0 0.5
Trypanosoma brucei protein kinase, putative 0.0062 0.1788 0.5
Onchocerca volvulus 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.1788 0.1788
Schistosoma mansoni tar DNA-binding protein 0.0144 0.4891 0.4891
Onchocerca volvulus 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.1788 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1367 0.1367
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.1788 0.5
Schistosoma mansoni tar DNA-binding protein 0.0144 0.4891 0.4891
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.1788 0.1788
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1367 0.1367
Brugia malayi MAP kinase sur-1 0.0062 0.1788 0.1788
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0144 0.4891 0.4891
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.1788 0.5
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.1788 0.5
Onchocerca volvulus 0.0015 0 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.1788 0.5
Onchocerca volvulus 0.0015 0 0.5
Echinococcus granulosus c-Jun N-terminal kinases 0.0279 1 1
Schistosoma mansoni tar DNA-binding protein 0.0144 0.4891 0.4891
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.1367 0.1367
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1788 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0144 0.4891 0.4891
Loa Loa (eye worm) RNA binding protein 0.0144 0.4891 0.4891
Schistosoma mansoni tar DNA-binding protein 0.0144 0.4891 0.4891
Schistosoma mansoni serine/threonine protein kinase 0.0279 1 1
Onchocerca volvulus 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Onchocerca volvulus 0.0015 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.0144 0.4891 0.4891
Onchocerca volvulus 0.0015 0 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.1788 0.1788
Onchocerca volvulus 0.0015 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1788 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.1788 0.5
Loa Loa (eye worm) TAR-binding protein 0.0144 0.4891 0.4891
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1788 0.5
Schistosoma mansoni tar DNA-binding protein 0.0144 0.4891 0.4891
Brugia malayi RNA binding protein 0.0144 0.4891 0.4891
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.1788 0.1788
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1367 0.1367
Onchocerca volvulus Neuropeptide F receptor homolog 0.0015 0 0.5
Brugia malayi TAR-binding protein 0.0144 0.4891 0.4891

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 3.2 uM Inhibition of JNK3 at 10 nM by spectophotometric coupled-enzyme assay ChEMBL. 17300186
Ki (binding) = 3.2 uM Inhibition of JNK3 at 10 nM by spectophotometric coupled-enzyme assay ChEMBL. 17300186
Ki (binding) = 4 uM Inhibition of ERK2 by spectophotometric coupled-enzyme assay ChEMBL. 17300186
Ki (binding) = 4 uM Inhibition of ERK2 by spectophotometric coupled-enzyme assay ChEMBL. 17300186

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.