Detailed information for compound 945292

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 446.889 | Formula: C23H19ClN6O2
  • H donors: 3 H acceptors: 4 LogP: 3.25 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cnn(c1)c1cccc(c1)C(=O)Nc1ccc(nc1)C)Nc1ccc(cc1)Cl
  • InChi: 1S/C23H19ClN6O2/c1-15-5-8-19(12-25-15)27-22(31)16-3-2-4-21(11-16)30-14-20(13-26-30)29-23(32)28-18-9-6-17(24)7-10-18/h2-14H,1H3,(H,27,31)(H2,28,29,32)
  • InChiKey: VTZNGGPLNCCQIL-UHFFFAOYSA-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
Schistosoma mansoni serine/threonine protein kinase 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
Schistosoma japonicum ko:K04440 c-Jun N-terminal kinase, putative 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
Brugia malayi Stress-activated protein kinase jnk-1 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
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0284 0.3031 0.3012
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0284 0.3031 0.3012
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.034 0.371 1
Entamoeba histolytica protein kinase, putative 0.0036 0.0027 0.5
Brugia malayi nuclear receptor RXR 0.0134 0.1217 0.1193
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0134 0.1217 0.3232
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0284 0.3031 0.8157
Loa Loa (eye worm) hypothetical protein 0.0134 0.1217 0.1193
Brugia malayi Nuclear hormone receptor E75 0.0134 0.1217 0.1193
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0134 0.1217 0.1193
Brugia malayi Protein kinase c protein 2 0.0188 0.1873 0.1851
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0027 1
Echinococcus multilocularis protein kinase c epsilon type 0.0065 0.0378 0.0954
Loa Loa (eye worm) hypothetical protein 0.015 0.1411 0.1388
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.031 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0284 0.3031 0.8157
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0284 0.3031 0.8157
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0284 0.3031 0.3012
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.034 0.371 1
Loa Loa (eye worm) hypothetical protein 0.0284 0.3031 0.3012
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.031 0.0768
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0284 0.3031 0.8157
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0284 0.3031 0.3012
Echinococcus granulosus protein kinase c iota type 0.006 0.0318 0.079
Brugia malayi hypothetical protein 0.0134 0.1217 0.1193
Brugia malayi Nuclear hormone receptor E75 0.0134 0.1217 0.1193
Loa Loa (eye worm) hypothetical protein 0.0284 0.3031 0.3012
Schistosoma mansoni retinoid-x-receptor (RXR) 0.015 0.1411 0.3759
Echinococcus multilocularis c Jun NH2 terminal kinase 0.028 0.2982 0.8025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0284 0.3031 0.3012
Schistosoma mansoni serine/threonine protein kinase 0.0085 0.0625 0.1622
Brugia malayi Nuclear hormone receptor-like 1 0.015 0.1411 0.1388
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0284 0.3031 1
Brugia malayi Steroid receptor seven-up type 2 0.0284 0.3031 0.3012
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.031 0.5
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.0245 0.0592
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0065 0.0378 0.0352
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.0245 0.0592
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0284 0.3031 0.8157
Loa Loa (eye worm) hypothetical protein 0.0284 0.3031 0.3012
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0027 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0284 0.3031 0.3012
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0027 1
Loa Loa (eye worm) hypothetical protein 0.015 0.1411 0.1388
Brugia malayi photoreceptor-specific nuclear receptor 0.0284 0.3031 0.3012
Entamoeba histolytica protein kinase, putative 0.0036 0.0027 0.5
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0134 0.1217 0.3232
Brugia malayi nuclear hormone receptor 0.0134 0.1217 0.1193
Brugia malayi tailless protein 0.0134 0.1217 0.1193
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0284 0.3031 0.3012
Loa Loa (eye worm) hypothetical protein 0.0134 0.1217 0.1193
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0284 0.3031 0.3012
Schistosoma mansoni nuclear receptor nhr-48 0.0134 0.1217 0.3232
Loa Loa (eye worm) hypothetical protein 0.0284 0.3031 0.3012
Schistosoma mansoni RAR-like nuclear receptor 0.0284 0.3031 0.8157
Echinococcus multilocularis serine:threonine protein kinase N2 0.0085 0.0625 0.1622
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0284 0.3031 0.8157
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0284 0.3031 0.3012
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0027 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.034 0.371 0.3693
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.0378 0.0954
Loa Loa (eye worm) hypothetical protein 0.0134 0.1217 0.1193
Schistosoma mansoni nuclear hormone receptor 0.0134 0.1217 0.3232
Loa Loa (eye worm) hypothetical protein 0.015 0.1411 0.1388
Loa Loa (eye worm) hypothetical protein 0.0181 0.1786 0.1763
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0284 0.3031 0.8157
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0284 0.3031 0.3012
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0284 0.3031 0.3012
Brugia malayi nuclear hormone receptor 0.0284 0.3031 0.3012
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0222 0.2276 0.6106
Brugia malayi Nuclear hormone receptor-like 1 0.0284 0.3031 0.3012
Brugia malayi hypothetical protein 0.015 0.1411 0.1388
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0027 1
Onchocerca volvulus Bile acid receptor homolog 0.0284 0.3031 1
Schistosoma mansoni serine/threonine protein kinase 0.0222 0.2276 0.6106
Loa Loa (eye worm) hypothetical protein 0.0134 0.1217 0.1193
Echinococcus granulosus RNA directed DNA polymerase 0.0157 0.1495 0.3986
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0134 0.1217 0.3232
Loa Loa (eye worm) steroid hormone receptor 0.0284 0.3031 0.3012
Brugia malayi nuclear hormone receptor family member nhr-6 0.0134 0.1217 0.1193
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0027 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0284 0.3031 0.8157
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0134 0.1217 0.3232
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0027 1
Brugia malayi steroid hormone receptor 0.0284 0.3031 0.3012
Loa Loa (eye worm) hypothetical protein 0.0284 0.3031 0.3012
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0134 0.1217 0.3232
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0284 0.3031 0.8157
Loa Loa (eye worm) hypothetical protein 0.0284 0.3031 0.3012
Brugia malayi nuclear receptor NHR-88 0.0134 0.1217 0.1193
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0284 0.3031 0.8157
Loa Loa (eye worm) hypothetical protein 0.0134 0.1217 0.1193
Loa Loa (eye worm) protein-tyrosine phosphatase 0.034 0.371 0.3693
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0284 0.3031 0.3012
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.015 0.1411 0.3759
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.031 0.5
Loa Loa (eye worm) camk/mapkapk/mnk protein kinase 0.0861 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0134 0.1217 0.3232
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.031 0.0768
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0134 0.1217 0.3232
Echinococcus granulosus serine:threonine protein kinase N2 0.0085 0.0625 0.1622
Brugia malayi Stress-activated protein kinase jnk-1 0.028 0.2982 0.2963
Loa Loa (eye worm) hypothetical protein 0.0284 0.3031 0.3012
Echinococcus granulosus thyroid hormone receptor alpha 0.0134 0.1217 0.3232
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.031 0.5
Loa Loa (eye worm) nuclear hormone receptor 0.0134 0.1217 0.1193
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0284 0.3031 0.3012
Trypanosoma brucei rac serine-threonine kinase, putative 0.0036 0.0027 0.5
Schistosoma mansoni nuclear receptor 0.0134 0.1217 0.3232
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.031 1
Schistosoma mansoni thyroid hormone receptor 0.0284 0.3031 0.8157
Entamoeba histolytica protein kinase, putative 0.0036 0.0027 0.5
Brugia malayi Hr1 repeat family protein 0.0085 0.0625 0.0599
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0284 0.3031 0.8157
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0284 0.3031 0.8157
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0284 0.3031 0.8157
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.015 0.1411 0.1388
Loa Loa (eye worm) hypothetical protein 0.0134 0.1217 0.1193
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0284 0.3031 0.8157
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0284 0.3031 0.3012
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.034 0.371 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0284 0.3031 0.8157
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0284 0.3031 0.3012
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0284 0.3031 0.8157
Loa Loa (eye worm) hypothetical protein 0.0134 0.1217 0.1193
Schistosoma mansoni nuclear hormone receptor 0.0134 0.1217 0.3232
Echinococcus granulosus protein kinase C gamma type 0.0198 0.1985 0.5316
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.015 0.1411 0.3759
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0134 0.1217 0.3232
Brugia malayi Nuclear hormone receptor-like 1 0.015 0.1411 0.1388
Echinococcus multilocularis RNA directed DNA polymerase 0.0157 0.1495 0.3986
Echinococcus multilocularis serine threonine protein kinase 0.0198 0.1985 0.5316
Loa Loa (eye worm) thyroid receptor interactor 0.0049 0.0195 0.0168
Brugia malayi nuclear receptor NHR-88 0.0284 0.3031 0.3012
Loa Loa (eye worm) hypothetical protein 0.0134 0.1217 0.1193
Loa Loa (eye worm) DR-78 0.0134 0.1217 0.1193
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.015 0.1411 0.3759
Echinococcus granulosus Nuclear hormone receptor HR96 0.0134 0.1217 0.3232
Brugia malayi protein kinase C II. 0.0065 0.0378 0.0352
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.031 0.0768
Loa Loa (eye worm) nuclear receptor NHR-67 0.0134 0.1217 0.1193
Echinococcus multilocularis protein kinase c iota type 0.006 0.0318 0.079
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.031 0.0768
Brugia malayi Fes/CIP4 homology domain containing protein 0.0049 0.0195 0.0168
Loa Loa (eye worm) hypothetical protein 0.0134 0.1217 0.1193
Brugia malayi nuclear hormone receptor family member odr-7 0.0134 0.1217 0.1193
Echinococcus granulosus ecdysone induced protein 78C 0.0284 0.3031 0.8157
Echinococcus granulosus Protein kinase C brain isozyme 0.0222 0.2276 0.6106
Brugia malayi nuclear receptor NHR-67 0.0134 0.1217 0.1193
Schistosoma mansoni serine/threonine protein kinase 0.028 0.2982 0.8025
Echinococcus granulosus FTZ F1 alpha 0.0284 0.3031 0.8157
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0164 0.1582 0.156
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0284 0.3031 0.8157
Echinococcus granulosus serine:threonine protein kinase N2 0.0049 0.0195 0.0455
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0284 0.3031 0.3012
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.031 0.5
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0027 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0049 0.0195 0.0455
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0134 0.1217 0.1193
Echinococcus granulosus nuclear receptor nhr 48 0.0134 0.1217 0.3232
Schistosoma mansoni lipoxygenase 0.0054 0.0245 0.0592
Brugia malayi conserved hypotetical protein 0.0134 0.1217 0.1193
Onchocerca volvulus Protein ultraspiracle homolog 0.0284 0.3031 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0284 0.3031 0.8157
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0284 0.3031 0.3012
Loa Loa (eye worm) hypothetical protein 0.0134 0.1217 0.1193
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0284 0.3031 0.8157
Echinococcus granulosus Nuclear hormone receptor HR96 0.0134 0.1217 0.3232
Brugia malayi nuclear receptor RXR 0.015 0.1411 0.1388
Schistosoma mansoni nuclear hormone receptor 0.0284 0.3031 0.8157
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0134 0.1217 0.3232
Brugia malayi hypothetical protein 0.015 0.1411 0.1388
Schistosoma mansoni atypical protein kinase C 0.006 0.0318 0.079
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0027 1
Onchocerca volvulus 0.0284 0.3031 1
Brugia malayi ecdysone receptor 0.0134 0.1217 0.1193
Brugia malayi ecdysteroid receptor 0.0284 0.3031 0.3012
Brugia malayi orphan nuclear receptor NR2E1 0.0134 0.1217 0.1193
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0157 0.1495 0.3986
Loa Loa (eye worm) hypothetical protein 0.0157 0.1495 0.1472
Schistosoma mansoni thyroid hormone receptor 0.0284 0.3031 0.8157
Loa Loa (eye worm) hypothetical protein 0.015 0.1411 0.1388
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0284 0.3031 0.3012
Schistosoma mansoni serine/threonine protein kinase 0.0222 0.2276 0.6106
Echinococcus multilocularis thyroid hormone receptor alpha 0.0284 0.3031 0.8157
Echinococcus multilocularis FTZ F1 alpha 0.0284 0.3031 0.8157
Loa Loa (eye worm) hypothetical protein 0.0134 0.1217 0.1193
Schistosoma mansoni nuclear receptor 0.0134 0.1217 0.3232
Echinococcus multilocularis nuclear receptor nhr 48 0.0134 0.1217 0.3232
Loa Loa (eye worm) hypothetical protein 0.015 0.1411 0.1388
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0284 0.3031 0.3012
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.028 0.2982 0.2963
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0284 0.3031 0.8157
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0284 0.3031 0.8157
Entamoeba histolytica protein kinase, putative 0.0036 0.0027 0.5
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0027 1
Echinococcus granulosus c-Jun N-terminal kinases 0.028 0.2982 0.8025
Loa Loa (eye worm) hypothetical protein 0.0134 0.1217 0.1193
Schistosoma mansoni coup transcription factor 0.0284 0.3031 0.8157
Loa Loa (eye worm) AGC/PKN protein kinase 0.0085 0.0625 0.0599
Loa Loa (eye worm) hypothetical protein 0.0284 0.3031 0.3012
Echinococcus granulosus protein kinase c epsilon type 0.0065 0.0378 0.0954
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0284 0.3031 0.3012
Schistosoma mansoni retinoic acid receptor RXR 0.0284 0.3031 0.8157
Loa Loa (eye worm) hypothetical protein 0.0134 0.1217 0.1193
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0027 1
Brugia malayi hypothetical protein 0.0134 0.1217 0.1193
Schistosoma mansoni zinc finger protein 0.0134 0.1217 0.3232

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1829 nM Inhibition of JNK3alpha1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay ChEMBL. 25393557
Inhibition (binding) Inhibition of JNK1 (unknown origin) up to 10 uM after 1 hr by homogeneous time-resolved fluorescence assay ChEMBL. 25393557

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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