Detailed information for compound 506862

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 344.382 | Formula: C22H17FN2O
  • H donors: 0 H acceptors: 2 LogP: 3.73 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(=O)c(c2ccc(cc2)F)c(c2c1cccc2)c1ccncc1
  • InChi: 1S/C22H17FN2O/c1-2-25-19-6-4-3-5-18(19)20(16-11-13-24-14-12-16)21(22(25)26)15-7-9-17(23)10-8-15/h3-14H,2H2,1H3
  • InChiKey: UTJITVXBLPHLMA-UHFFFAOYSA-N  

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 14 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi mitogen-activated protein kinase 3, 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
Leishmania infantum mitogen-activated protein kinase 3, putative,map kinase 3, putative 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
Trypanosoma congolense mitogen-activated protein 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
Leishmania donovani mitogen-activated protein kinase 3, putative 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
Trypanosoma brucei 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
Schistosoma japonicum ko:K04441 p38 MAP kinase, 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
Leishmania braziliensis mitogen-activated protein kinase 3, putative,map 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
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
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
Candida albicans MAP kinase involved in osmoregulation 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

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
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0041 0.0365 0.0365
Echinococcus granulosus serotonin transporter 0.0241 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0041 0.0365 0.0365
Loa Loa (eye worm) hypothetical protein 0.0241 1 1
Echinococcus multilocularis serotonin transporter 0.0241 1 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0041 0.0365 0.0365
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0152 0.5721 0.5
Brugia malayi MH2 domain containing protein 0.0117 0.4017 0.4017
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0041 0.0365 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0241 1 1
Echinococcus multilocularis mitogen activated protein kinase 14 0.0152 0.5721 0.5559
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0743 0.0743
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0041 0.0365 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0743 0.0743
Loa Loa (eye worm) solute carrier family 6 member 4 0.0241 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0365 0.0365
Loa Loa (eye worm) norepinephrine transporter 0.0241 1 1
Echinococcus multilocularis mitogen activated protein kinase 11 0.0152 0.5721 0.5559
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0743 0.0743
Loa Loa (eye worm) hypothetical protein 0.0041 0.0365 0.0365
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0041 0.0365 0.0365
Schistosoma mansoni sodium-dependent amino acid transporter 0.0041 0.0365 0.0365
Loa Loa (eye worm) hypothetical protein 0.0049 0.0777 0.0777
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0041 0.0365 0.0365
Plasmodium falciparum transporter, putative 0.0041 0.0365 0.5
Echinococcus granulosus mitogen activated protein kinase 14 0.0152 0.5721 0.5559
Loa Loa (eye worm) hypothetical protein 0.0041 0.0365 0.0365
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0152 0.5721 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0241 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.4017 0.4017
Toxoplasma gondii hypothetical protein 0.0041 0.0365 0.5
Echinococcus granulosus mitogen activated protein kinase 11 0.0152 0.5721 0.5559
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0041 0.0365 0.5
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0152 0.5721 0.5721
Loa Loa (eye worm) serotonin transporter b 0.0241 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0041 0.0365 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0041 0.0365 0.0365
Loa Loa (eye worm) hypothetical protein 0.0041 0.0365 0.0365
Brugia malayi Hint module family protein 0.0049 0.0777 0.0777
Treponema pallidum sodium- and chloride- dependent transporter 0.0241 1 0.5
Plasmodium vivax amine transporter, putative 0.0041 0.0365 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0041 0.0365 0.0365
Brugia malayi hypothetical protein 0.0041 0.0365 0.0365
Plasmodium falciparum amino acid transporter, putative 0.0041 0.0365 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0041 0.0365 0.0365
Echinococcus multilocularis hedgehog 0.0182 0.7165 0.7058
Loa Loa (eye worm) hypothetical protein 0.0241 1 1
Echinococcus multilocularis mitogen activated protein kinase 14 0.0152 0.5721 0.5559
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0041 0.0365 0.0365
Loa Loa (eye worm) hypothetical protein 0.0041 0.0365 0.0365
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0041 0.0365 0.0365
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0152 0.5721 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0041 0.0392 0.0392
Loa Loa (eye worm) hypothetical protein 0.0041 0.0365 0.0365
Toxoplasma gondii hypothetical protein 0.0041 0.0365 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0041 0.0365 0.0365
Loa Loa (eye worm) hypothetical protein 0.0041 0.0365 0.0365
Brugia malayi P38 map kinase family protein 2 0.0152 0.5721 0.5721
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0152 0.5721 0.5
Schistosoma mansoni hypothetical protein 0.0133 0.4783 0.4783
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0041 0.0365 0.0365
Loa Loa (eye worm) hypothetical protein 0.0049 0.0777 0.0777
Onchocerca volvulus 0.0241 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.4017 0.4017
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0041 0.0365 0.0365
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0041 0.0365 0.0365
Echinococcus granulosus Desert hedgehog protein 0.0182 0.7165 0.7058
Echinococcus multilocularis mitogen activated protein kinase 11 0.0152 0.5721 0.5559
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0041 0.0365 0.0365
Loa Loa (eye worm) hypothetical protein 0.0049 0.0743 0.0743
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0365 0.5
Brugia malayi Hint module family protein 0.0049 0.0777 0.0777
Loa Loa (eye worm) hypothetical protein 0.0241 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.2 uM Inhibition of p38alpha (unknown origin) ChEMBL. 18207396
IC50 (binding) = 2.2 uM Inhibition of p38alpha (unknown origin) ChEMBL. 18207396

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.

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