Detailed information for compound 330671

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 384.259 | Formula: C20H15Cl2N3O
  • H donors: 2 H acceptors: 1 LogP: 6.15 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)CNc1[nH]nc2c1c(ccc2)Oc1ccccc1)Cl
  • InChi: 1S/C20H15Cl2N3O/c21-14-9-10-16(22)13(11-14)12-23-20-19-17(24-25-20)7-4-8-18(19)26-15-5-2-1-3-6-15/h1-11H,12H2,(H2,23,24,25)
  • InChiKey: OYYYIQNTTZJJCS-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 8 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
Brugia malayi Stress-activated protein kinase jnk-1 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
Schistosoma japonicum IPR000164,Histone H3;IPR009072,Histone-fold,domain-containing 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
Echinococcus granulosus c-Jun N-terminal kinases 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

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 multilocularis nuclear factor of activated T cells 5 0.008 0.2804 0.2804
Loa Loa (eye worm) hypothetical protein 0.0016 0.0475 0.0475
Brugia malayi cyclic AMP-response element binding protein 1 gamma 1, putative 0.0237 0.8496 0.8496
Echinococcus granulosus death domain containing protein 0.0016 0.0475 0.0475
Schistosoma mansoni netrin receptor unc5 0.0016 0.0475 0.0475
Echinococcus multilocularis netrin receptor unc 5 0.0016 0.0475 0.0475
Schistosoma mansoni ankyrin 23/unc44 0.0016 0.0475 0.0475
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0016 0.0475 0.0475
Echinococcus granulosus Ankyrin 0.0016 0.0479 0.0479
Brugia malayi Uncoordinated protein 44 0.0016 0.0475 0.0475
Echinococcus granulosus c-Jun N-terminal kinases 0.0278 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0475 0.0475
Echinococcus multilocularis Ankyrin 0.0016 0.0479 0.0479
Brugia malayi Protein kinase domain containing protein 0.0016 0.0495 0.0495
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0278 1 1
Onchocerca volvulus Netrin receptor homolog 0.0016 0.0475 0.0559
Onchocerca volvulus 0.0237 0.8496 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.8496 0.8496
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0016 0.0475 0.0475
Loa Loa (eye worm) hypothetical protein 0.0016 0.0479 0.0479
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0016 0.0475 0.0475
Echinococcus granulosus nuclear factor of activated T cells 5 0.008 0.2804 0.2804
Echinococcus granulosus netrin receptor unc 5 0.0016 0.0475 0.0475
Schistosoma mansoni hypothetical protein 0.0016 0.0475 0.0475
Brugia malayi Death domain containing protein 0.0016 0.0475 0.0475
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0016 0.0479 0.0479
Schistosoma mansoni serine/threonine protein kinase 0.0278 1 1
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0278 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = -6.1 Negative log of inhibitiory concentration determined against c-Jun N-terminal kinase (Activity reported against the isolated JNK-1 enzyme) ChEMBL. 15950471
Log IC50 (binding) = 6.1 Negative log of inhibitiory concentration determined against c-Jun N-terminal kinase (Activity reported against the isolated JNK-1 enzyme) ChEMBL. 15950471

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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