Detailed information for compound 1831239

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 482.464 | Formula: C23H23FN6O5
  • H donors: 4 H acceptors: 8 LogP: -0.4 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)O)n1nnc(c1)c1nc(c(n1C)c1ccncc1)c1ccc(cc1)F
  • InChi: 1S/C23H23FN6O5/c1-29-18(13-6-8-25-9-7-13)17(12-2-4-14(24)5-3-12)26-22(29)15-10-30(28-27-15)19-21(33)20(32)16(11-31)35-23(19)34/h2-10,16,19-21,23,31-34H,11H2,1H3/t16-,19-,20-,21-,23?/m1/s1
  • InChiKey: OXLSSSLDAPCKMJ-ZOILTUEDSA-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 14 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani mitogen-activated protein kinase 3, putative 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
Candida albicans MAP kinase involved in osmoregulation 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 cruzi mitogen-activated protein kinase 3, putative 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
Schistosoma japonicum ko:K04441 p38 MAP kinase, putative 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
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 granulosus 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 multilocularis mitogen activated protein kinase 14 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
Leishmania mexicana mitogen-activated protein kinase 3, putative,map 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 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
Trypanosoma cruzi 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
Echinococcus granulosus mitogen activated protein kinase 14 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
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0157 0.0177 0.5
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0278 0.0769 0.4239
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0177 0.0188
Brugia malayi hypothetical protein 0.0157 0.0177 0.0177
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.049 0.1815 1
Echinococcus granulosus mitogen activated protein kinase 14 0.0153 0.0154 0.0846
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Onchocerca volvulus 0.0157 0.0177 0.0192
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0157 0.0177 0.0975
Echinococcus multilocularis mitogen activated protein kinase 11 0.0153 0.0154 0.0846
Brugia malayi hypothetical protein 0.0157 0.0177 0.0177
Brugia malayi Protein-tyrosine phosphatase containing protein 0.049 0.1815 0.1815
Onchocerca volvulus 0.0157 0.0177 0.0192
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Onchocerca volvulus 0.0157 0.0177 0.0192
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0278 0.0769 0.4239
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0157 0.0177 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0157 0.0177 0.0975
Loa Loa (eye worm) protein-tyrosine phosphatase 1 0.0157 0.0177 0.0188
Brugia malayi Protein-tyrosine phosphatase 0.0157 0.0177 0.0177
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0157 0.0177 0.0975
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Brugia malayi hypothetical protein 0.0157 0.0177 0.0177
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0157 0.0177 0.0975
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0157 0.0177 1
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0177 0.0188
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0177 0.0188
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0278 0.0769 0.4239
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0157 0.0177 0.0975
Schistosoma mansoni receptor protein tyrosine phosphatase r (pcptp1) 0.0157 0.0177 0.0975
Onchocerca volvulus 0.0157 0.0177 0.0192
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0177 0.0188
Brugia malayi hypothetical protein 0.0157 0.0177 0.0177
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0157 0.0177 0.0975
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0177 0.0188
Onchocerca volvulus 0.0157 0.0177 0.0192
Onchocerca volvulus 0.0157 0.0177 0.0192
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0278 0.0769 0.4239
Brugia malayi Protein-tyrosine phosphatase 1 0.0157 0.0177 0.0177
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0157 0.0177 0.0975
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0157 0.0177 0.0975
Onchocerca volvulus 0.0157 0.0177 0.0192
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0278 0.0769 0.4239
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0278 0.0769 0.4239
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0157 0.0177 0.0975
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0157 0.0177 0.0975
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0157 0.0177 0.0975
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0157 0.0177 0.0975
Onchocerca volvulus 0.0157 0.0177 0.0192
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0278 0.0769 0.4239
Onchocerca volvulus 0.0157 0.0177 0.0192
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0157 0.0177 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0177 0.0188
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0278 0.0769 0.4239
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Leishmania major protein-tyrosine phosphatase 1-like protein 0.0157 0.0177 1
Onchocerca volvulus 0.0157 0.0177 0.0192
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0278 0.0769 0.4239
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Onchocerca volvulus 0.0157 0.0177 0.0192
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0157 0.0177 0.0975
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Brugia malayi protein-tyrosine phosphatase Lar-like precursor, putative 0.0157 0.0177 0.0177
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0157 0.0177 0.0975
Echinococcus multilocularis mitogen activated protein kinase 14 0.0153 0.0154 0.0846
Onchocerca volvulus 0.0157 0.0177 0.0192
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0157 0.0177 0.0975
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0177 0.0188
Schistosoma mansoni non-receptor protein-tyrosine phosphatase 0.0157 0.0177 0.0975
Trichomonas vaginalis pten, drome, putative 0.0157 0.0177 0.5
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Echinococcus multilocularis mitogen activated protein kinase 14 0.0153 0.0154 0.0846
Echinococcus multilocularis protein tyrosine phosphatase n9 0.0157 0.0177 0.0975
Schistosoma mansoni protein-tyrosine phosphatase n9 0.0157 0.0177 0.0975
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0278 0.0769 0.4239
Trypanosoma brucei protein tyrosine phosphatase 1 0.0157 0.0177 1
Echinococcus multilocularis 0.0157 0.0177 0.0975
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Giardia lamblia Protein tyrosine phosphatase 0.0157 0.0177 0.5
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0177 0.0188
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0157 0.0177 0.0975
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Loa Loa (eye worm) hypothetical protein 0.1875 0.8633 0.9176
Schistosoma mansoni protein-tyrosine phosphatase non-receptor type nt5 0.0157 0.0177 0.0975
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Onchocerca volvulus 0.0157 0.0177 0.0192
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0278 0.0769 0.4239
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0177 0.0188
Schistosoma mansoni protein tyrosine phosphatase 0.0278 0.0769 0.4239
Echinococcus granulosus protein tyrosine phosphatase n9 0.0157 0.0177 0.0975
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0157 0.0177 0.0975
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0157 0.0177 0.0975
Schistosoma mansoni protein tyrosine phosphatase 0.0157 0.0177 0.0975
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0177 0.0188
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0157 0.0177 0.0975
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0157 0.0177 0.0975
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0278 0.0769 0.4239
Leishmania major tyrosine specific protein phosphatase, putative 0.0157 0.0177 1
Onchocerca volvulus 0.0157 0.0177 0.0192
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0157 0.0177 0.5
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0157 0.0177 0.0975
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0177 0.0188
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.1875 0.8633 0.9176
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0157 0.0177 0.0975
Onchocerca volvulus 0.0157 0.0177 0.0192
Loa Loa (eye worm) hypothetical protein 0.1875 0.8633 0.9176
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.049 0.1815 1
Onchocerca volvulus 0.0157 0.0177 0.0192
Echinococcus granulosus mitogen activated protein kinase 11 0.0153 0.0154 0.0846
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Loa Loa (eye worm) protein tyrosine phosphatase 0.0157 0.0177 0.0188
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Onchocerca volvulus 0.0157 0.0177 0.0192
Echinococcus multilocularis hypothetical protein 0.0157 0.0177 0.0975
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0157 0.0177 0.0975
Onchocerca volvulus 0.1995 0.9225 1
Onchocerca volvulus 0.0157 0.0177 0.0192
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0157 0.0177 0.5
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0157 0.0177 0.0975
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0157 0.0177 0.0975
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0177 0.0188
Schistosoma mansoni rgs-gaip interacting protein gipc 0.0157 0.0177 0.0975
Echinococcus multilocularis receptor type tyrosine protein phosphatase H 0.0157 0.0177 0.0975
Onchocerca volvulus 0.0157 0.0177 0.0192
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0278 0.0769 0.0818
Onchocerca volvulus 4.1 G protein, putative homolog 0.0157 0.0177 0.0192
Brugia malayi P38 map kinase family protein 2 0.0153 0.0154 0.0154
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0157 0.0177 0.0975
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Loa Loa (eye worm) hypothetical protein 0.2032 0.9408 1
Onchocerca volvulus 0.0157 0.0177 0.0192
Onchocerca volvulus 0.0157 0.0177 0.0192
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0177 0.0188
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Onchocerca volvulus 0.0157 0.0177 0.0192
Brugia malayi Dual specificity protein phosphatase CDC14B 0.0157 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Schistosoma mansoni protein tyrosine phosphatase 0.0157 0.0177 0.0975
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0157 0.0177 0.0188
Loa Loa (eye worm) protein-tyrosine phosphatase 0.049 0.1815 0.1929
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.049 0.1815 1
Loa Loa (eye worm) dual specificity protein phosphatase CDC14B 0.0157 0.0177 0.0188
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0157 0.0177 0.0975
Schistosoma mansoni pcd6 interacting protein-related 0.0157 0.0177 0.0975
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0278 0.0769 0.4239
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0157 0.0177 0.0975
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0278 0.0769 0.4239
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Echinococcus multilocularis mitogen activated protein kinase 11 0.0153 0.0154 0.0846
Onchocerca volvulus 0.0157 0.0177 0.0192
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0157 0.0177 0.0177
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0157 0.0177 0.0975
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0278 0.0769 0.4239
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0157 0.0177 0.0975
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0153 0.0154 0.0163
Loa Loa (eye worm) protein-tyrosine-phosphatase 0.0157 0.0177 0.0188
Brugia malayi hypothetical protein 0.0157 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0157 0.0177 0.0188

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.71 uM Inhibition of p38a MAPK (unknown origin) by radiometric assay ChEMBL. 24508134

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.