Detailed information for compound 1749534

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 417.475 | Formula: C25H24FN3O2
  • H donors: 0 H acceptors: 2 LogP: 5.88 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nc2n(c1N(C(=O)c1ccc(cc1)C)C)cccc2OCc1ccc(cc1)F
  • InChi: 1S/C25H24FN3O2/c1-4-21-24(28(3)25(30)19-11-7-17(2)8-12-19)29-15-5-6-22(23(29)27-21)31-16-18-9-13-20(26)14-10-18/h5-15H,4,16H2,1-3H3
  • InChiKey: XNDHPDJXLNOJCU-UHFFFAOYSA-N  


Substructure search Similarity search

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 Rap guanine nucleotide exchange factor (GEF) 4 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
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) AGC/RSK/P70 protein kinase 0.0062 0.0324 0.0324
Echinococcus multilocularis Glutaredoxin protein 5 0.0028 0.0068 0.0079
Brugia malayi N-terminal motif family protein 0.0218 0.1494 0.1494
Echinococcus multilocularis regulator of G protein signaling 0.0186 0.1254 0.1458
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0034 0.0113 0.0113
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0113 0.0113
Schistosoma mansoni serine/threonine-protein kinase 0.0034 0.0109 0.0109
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.047 0.3387 0.3387
Entamoeba histolytica protein kinase, putative 0.0062 0.0324 0.1879
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.1165 0.8603 1
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.1165 0.8603 0.8603
Schistosoma mansoni serine/threonine-protein kinase 0.0034 0.0109 0.0109
Echinococcus multilocularis Regulator of G protein signaling 20 0.0186 0.1254 0.1458
Loa Loa (eye worm) AGC/PKN protein kinase 0.0034 0.0113 0.0113
Trichomonas vaginalis conserved hypothetical protein 0.0186 0.1254 1
Schistosoma mansoni serine/threonine protein kinase 0.0191 0.1295 0.1295
Entamoeba histolytica protein kinase, putative 0.0034 0.0113 0.0037
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0186 0.1254 0.1254
Brugia malayi protein kinase C II. 0.0034 0.0113 0.0113
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0309 0.0309
Onchocerca volvulus 0.0155 0.1019 0.079
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.1165 0.8603 0.8603
Echinococcus multilocularis regulator of G protein signaling 3 0.0186 0.1254 0.1458
Toxoplasma gondii AGC kinase 0.0062 0.0324 0.5
Trichomonas vaginalis AGC family protein kinase 0.0034 0.0113 0.0345
Echinococcus granulosus regulator of G protein signaling 3 0.0186 0.1254 0.1458
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0028 0.0068 0.0079
Brugia malayi Regulator of G protein signaling domain containing protein 0.0186 0.1254 0.1254
Trichomonas vaginalis conserved hypothetical protein 0.0186 0.1254 1
Brugia malayi regulator of G-protein signaling rgs-7 0.0186 0.1254 0.1254
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.012 0.0759 0.0759
Trichomonas vaginalis conserved hypothetical protein 0.0186 0.1254 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0034 0.0109 0.0126
Schistosoma mansoni regulator of G protein signaling 0.0197 0.1335 0.1335
Schistosoma mansoni axis inhibition protein axin 0.0186 0.1254 0.1254
Schistosoma mansoni hypothetical protein 0.0041 0.0166 0.0166
Echinococcus multilocularis serine:threonine protein kinase N2 0.0034 0.0113 0.0131
Schistosoma mansoni regulator of G protein signaling 0.0186 0.1254 0.1254
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0034 0.0113 0.0131
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0034 0.0113 0.0131
Brugia malayi Regulator of G protein signaling domain containing protein 0.0186 0.1254 0.1254
Echinococcus granulosus rho-associated protein kinase 1 0.0155 0.1019 0.1185
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0034 0.0113 0.0131
Echinococcus granulosus serine threonine protein kinase nrc 0.0034 0.0109 0.0126
Schistosoma mansoni z-protein (S1r protein) 0.0197 0.1335 0.1335
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0166 0.0166
Echinococcus granulosus Protein kinase C brain isozyme 0.0034 0.0113 0.0131
Loa Loa (eye worm) hypothetical protein 0.0041 0.0166 0.0166
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0186 0.1254 0.1254
Echinococcus granulosus regulator of G protein signaling 7 0.0197 0.1335 0.1552
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.012 0.0759 0.0882
Loa Loa (eye worm) hypothetical protein 0.0218 0.1494 0.1494
Trichomonas vaginalis AGC family protein kinase 0.0062 0.0324 0.2129
Echinococcus granulosus nervana 2 0.0028 0.0068 0.0079
Echinococcus multilocularis nervana 2 0.0028 0.0068 0.0079
Echinococcus multilocularis protein kinase c epsilon type 0.0034 0.0113 0.0131
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0186 0.1254 1
Schistosoma mansoni atypical protein kinase C 0.0034 0.0113 0.0113
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0309 0.0309
Loa Loa (eye worm) RGS-3 protein 0.0186 0.1254 0.1254
Echinococcus multilocularis axis inhibition protein axin 0.0186 0.1254 0.1458
Trichomonas vaginalis AGC family protein kinase 0.0062 0.0324 0.2129
Loa Loa (eye worm) hypothetical protein 0.0186 0.1254 0.1254
Schistosoma mansoni serine/threonine protein kinase 0.012 0.0759 0.0759
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0091 0.0543 0.5
Schistosoma mansoni serine/threonine kinase 0.0034 0.0113 0.0113
Brugia malayi Protein kinase domain containing protein 0.047 0.3387 0.3387
Echinococcus granulosus protein kinase C gamma type 0.0034 0.0113 0.0131
Loa Loa (eye worm) hypothetical protein 0.0186 0.1254 0.1254
Echinococcus granulosus regulator of G protein signaling 3 0.0186 0.1254 0.1458
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0113 0.0113
Trypanosoma cruzi Protein kinase B 0.0034 0.0109 0.5
Echinococcus multilocularis regulator of G protein signaling 3 0.0186 0.1254 0.1458
Brugia malayi regulator of G-protein signaling egl-10 0.0197 0.1335 0.1335
Trichomonas vaginalis AGC family protein kinase 0.0034 0.0113 0.0345
Echinococcus multilocularis beta adrenergic receptor kinase 0.0191 0.1295 0.1505
Loa Loa (eye worm) hypothetical protein 0.0034 0.0113 0.0113
Echinococcus multilocularis axis inhibition protein axin 0.0186 0.1254 0.1458
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0034 0.0109 0.5
Echinococcus granulosus axis inhibition protein axin 0.0186 0.1254 0.1458
Schistosoma mansoni serine/threonine protein kinase 0.0191 0.1295 0.1295
Loa Loa (eye worm) AGC/NDR protein kinase 0.0034 0.0113 0.0113
Echinococcus multilocularis serine:threonine protein kinase 38 0.0034 0.0113 0.0131
Trypanosoma brucei rac serine-threonine kinase, putative 0.0062 0.0324 0.5
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.1494 1
Trichomonas vaginalis AGC family protein kinase 0.0034 0.0113 0.0345
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0028 0.0068 0.0079
Loa Loa (eye worm) hypothetical protein 0.006 0.0309 0.0309
Echinococcus multilocularis regulator of G protein signaling 7 0.0197 0.1335 0.1552
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0034 0.0109 0.5
Echinococcus multilocularis serine threonine protein kinase 0.0034 0.0113 0.0131
Loa Loa (eye worm) hypothetical protein 0.0186 0.1254 0.1254
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0034 0.0113 0.0131
Entamoeba histolytica hypothetical protein 0.0186 0.1254 1
Brugia malayi Protein kinase domain containing protein 0.0062 0.0324 0.0324
Echinococcus granulosus beta-adrenergic receptor kinase 0.0191 0.1295 0.1505
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.1165 0.8603 0.8603
Trichomonas vaginalis AGC family protein kinase 0.0034 0.0113 0.0345
Echinococcus granulosus protein kinase c epsilon type 0.0034 0.0113 0.0131
Echinococcus multilocularis G protein coupled receptor kinase 6 0.1165 0.8603 1
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.1351 1 1
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0191 0.1295 0.1295
Brugia malayi ribosomal protein S6 kinase alpha 3 0.0091 0.0543 0.0543
Echinococcus granulosus serine:threonine protein kinase N2 0.0034 0.0113 0.0131
Schistosoma mansoni serine/threonine protein kinase 0.1351 1 1
Echinococcus multilocularis rho associated protein kinase 0.0155 0.1019 0.1185
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0034 0.0109 0.5
Echinococcus multilocularis regulator of G protein signaling 7 0.0197 0.1335 0.1552
Echinococcus multilocularis nervana 2 0.0028 0.0068 0.0079
Echinococcus granulosus axis inhibition protein axin 0.0186 0.1254 0.1458
Echinococcus granulosus nervana 2 0.0028 0.0068 0.0079
Schistosoma mansoni regulator of G protein signaling 0.0186 0.1254 0.1254
Echinococcus granulosus protein kinase c iota type 0.0034 0.0113 0.0131
Giardia lamblia Kinase, AGC AKT 0.0091 0.0543 1
Brugia malayi PXA domain containing protein 0.0186 0.1254 0.1254
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0034 0.0113 0.0113
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.012 0.0759 0.0882
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0197 0.1335 0.1335
Echinococcus multilocularis protein kinase c iota type 0.0034 0.0113 0.0131
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0034 0.0113 0.0113
Echinococcus granulosus serine/threonine protein kinase 0.0034 0.0109 0.0126
Trichomonas vaginalis AGC family protein kinase 0.0062 0.0324 0.2129
Echinococcus granulosus NDR protein kinase 0.0034 0.0113 0.0131
Brugia malayi Protein kinase domain containing protein 0.0034 0.0113 0.0113
Brugia malayi PXA domain containing protein 0.0186 0.1254 0.1254
Entamoeba histolytica hypothetical protein 0.0186 0.1254 1
Trichomonas vaginalis AGC family protein kinase 0.0062 0.0324 0.2129
Brugia malayi p70 ribosomal S6 kinase beta 0.0062 0.0324 0.0324
Trichomonas vaginalis conserved hypothetical protein 0.0186 0.1254 1
Brugia malayi hypothetical protein 0.0186 0.1254 0.1254
Echinococcus granulosus expressed protein 0.0186 0.1254 0.1458
Loa Loa (eye worm) AGC/AKT protein kinase 0.0062 0.0324 0.0324
Trichomonas vaginalis AGC family protein kinase 0.0062 0.0324 0.2129
Schistosoma mansoni axis inhibition protein axin 0.0186 0.1254 0.1254
Entamoeba histolytica hypothetical protein 0.0186 0.1254 1
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0113 0.0113
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0186 0.1254 0.1254
Entamoeba histolytica protein kinase, putative 0.0062 0.0324 0.1879
Brugia malayi Hr1 repeat family protein 0.0034 0.0113 0.0113
Loa Loa (eye worm) PXA domain-containing protein 0.0186 0.1254 0.1254
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0034 0.0113 0.0131
Echinococcus multilocularis serine:threonine protein kinase N2 0.0034 0.0113 0.0131
Schistosoma mansoni serine/threonine protein kinase 0.0155 0.1019 0.1019
Entamoeba histolytica protein kinase, putative 0.0062 0.0324 0.1879
Trichomonas vaginalis conserved hypothetical protein 0.0186 0.1254 1
Echinococcus granulosus Regulator of G protein signaling 20 0.0186 0.1254 0.1458
Brugia malayi A-kinase anchor protein 10, precursor 0.0186 0.1254 0.1254
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0034 0.0109 0.5
Loa Loa (eye worm) hypothetical protein 0.0186 0.1254 0.1254
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0034 0.0109 0.0126
Brugia malayi Protein kinase domain containing protein 0.0034 0.0113 0.0113
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0186 0.1254 0.1458
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0113 0.0113
Echinococcus multilocularis expressed protein 0.0186 0.1254 0.1458
Schistosoma mansoni regulator of G protein signaling 0.0186 0.1254 0.1254
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0309 0.0309
Trichomonas vaginalis conserved hypothetical protein 0.0186 0.1254 1
Schistosoma mansoni regulator of G protein signaling 0.0186 0.1254 0.1254
Trichomonas vaginalis AGC family protein kinase 0.0062 0.0324 0.2129
Echinococcus granulosus regulator of G protein signaling 7 0.0197 0.1335 0.1552
Loa Loa (eye worm) hypothetical protein 0.0186 0.1254 0.1254
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0186 0.1254 0.1458
Echinococcus granulosus Glutaredoxin protein 5 0.0028 0.0068 0.0079
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0113 0.0113
Trichomonas vaginalis AGC family protein kinase 0.0062 0.0324 0.2129
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0197 0.1335 0.1335
Brugia malayi hypothetical protein 0.0186 0.1254 0.1254
Echinococcus multilocularis rac serine:threonine kinase 0.0034 0.0109 0.0126

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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