Detailed information for compound 1051502

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 266.295 | Formula: C16H14N2O2
  • H donors: 1 H acceptors: 2 LogP: 3.57 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C\1/c2ccccc2N(C1=O)Cc1cccc(c1)C
  • InChi: 1S/C16H14N2O2/c1-11-5-4-6-12(9-11)10-18-14-8-3-2-7-13(14)15(17-20)16(18)19/h2-9,20H,10H2,1H3/b17-15-
  • InChiKey: QFFDDKAXPJGPLQ-ICFOKQHNSA-N  

Network

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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 10 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase Get druggable targets OG5_129677 All targets in OG5_129677
Schistosoma japonicum ko:K04440 c-Jun N-terminal kinase, putative Get druggable targets OG5_129677 All targets in OG5_129677
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129677 All targets in OG5_129677
Brugia malayi Stress-activated protein kinase jnk-1 Get druggable targets OG5_129677 All targets in OG5_129677
Schistosoma japonicum IPR000164,Histone H3;IPR009072,Histone-fold,domain-containing Get druggable targets OG5_129677 All targets in OG5_129677
Echinococcus granulosus c-Jun N-terminal kinases Get druggable targets OG5_129677 All targets in OG5_129677
Echinococcus multilocularis c Jun NH2 terminal kinase Get druggable targets OG5_129677 All targets in OG5_129677

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 tuberculosis Probable lipase LipE 0.0041 0.0819 0.0883
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0051 0.1218 0.1218
Loa Loa (eye worm) hypothetical protein 0.0041 0.0819 0.0819
Mycobacterium ulcerans lipase LipD 0.0041 0.0819 0.1864
Loa Loa (eye worm) hypothetical protein 0.005 0.1185 0.1185
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0819 0.0819
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0133 0.4396 1
Mycobacterium ulcerans hypothetical protein 0.0041 0.0819 0.1864
Echinococcus granulosus c-Jun N-terminal kinases 0.0278 1 1
Mycobacterium tuberculosis Conserved protein 0.0041 0.0819 0.0883
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1185 0.1185
Onchocerca volvulus 0.0041 0.0819 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1185 0.1185
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0819 0.0883
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.031 0.0705
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0819 0.0883
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0819 0.1864
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.031 0.3782
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0819 0.1864
Loa Loa (eye worm) hypothetical protein 0.0171 0.5842 0.5842
Brugia malayi hypothetical protein 0.0027 0.031 0.031
Leishmania major hypothetical protein, conserved 0.0041 0.0819 1
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0133 0.4396 0.4737
Onchocerca volvulus 0.0041 0.0819 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0819 0.0819
Mycobacterium tuberculosis Conserved protein 0.0041 0.0819 0.0883
Brugia malayi beta-lactamase family protein 0.0041 0.0819 0.0819
Loa Loa (eye worm) hypothetical protein 0.0034 0.0572 0.0572
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0819 0.0883
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0819 0.0883
Loa Loa (eye worm) hypothetical protein 0.0041 0.0819 0.0819
Plasmodium falciparum enoyl-acyl carrier reductase 0.0133 0.4396 1
Trichomonas vaginalis hypothetical protein 0.0133 0.4396 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.031 0.0705
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0819 0.1864
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0819 1
Leishmania major hypothetical protein, conserved 0.0027 0.031 0.3782
Onchocerca volvulus 0.0041 0.0819 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0819 0.0819
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0038 0.0731 0.0731
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0572 0.0572
Brugia malayi beta-lactamase family protein 0.0041 0.0819 0.0819
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.031 0.0705
Mycobacterium tuberculosis Conserved protein 0.0041 0.0819 0.0883
Mycobacterium tuberculosis Possible penicillin-binding protein 0.026 0.9279 1
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0819 0.0883
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0819 0.1864
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0819 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.031 0.3782
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0819 0.1864
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0819 0.0819
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0819 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0819 0.0819
Schistosoma mansoni hypothetical protein 0.0034 0.0572 0.0572
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1185 0.1185
Loa Loa (eye worm) hypothetical protein 0.0041 0.0819 0.0819
Schistosoma mansoni serine/threonine protein kinase 0.0278 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0819 0.0819
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0278 1 1
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0278 1 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0819 0.0883
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0133 0.4396 1
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0038 0.0731 0.0731
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0133 0.4396 0.5
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0133 0.4396 1
Mycobacterium ulcerans beta-lactamase 0.0041 0.0819 0.1864
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0819 0.1864
Echinococcus granulosus adam 17 protease 0.0089 0.27 0.27
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0133 0.4396 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0819 0.1864
Echinococcus multilocularis adam 17 protease 0.0081 0.2387 0.2387
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0819 0.1864
Brugia malayi beta-lactamase 0.0041 0.0819 0.0819
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.031 0.3782
Trichomonas vaginalis esterase, putative 0.0041 0.0819 0.1864
Loa Loa (eye worm) hypothetical protein 0.0041 0.0819 0.0819
Toxoplasma gondii ABC1 family protein 0.0041 0.0819 0.1864
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0038 0.0731 0.0731
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0819 0.0819
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0051 0.1218 0.1218
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0 0.5
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0038 0.0731 0.0731
Loa Loa (eye worm) hypothetical protein 0.0041 0.0819 0.0819
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.031 0.0705
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0133 0.4396 1
Loa Loa (eye worm) beta-lactamase 0.0041 0.0819 0.0819
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0081 0.2387 0.2387
Loa Loa (eye worm) hypothetical protein 0.0027 0.031 0.031

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 6.8 uM Inhibition of JNK3 by spectrophotometric coupled enzyme assay ChEMBL. 19361991

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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