TDR Targets

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

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131726	All targets in OG5_131726
Brugia malayi	N-terminal motif family protein	Get druggable targets OG5_131726	All targets in OG5_131726
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	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

Ranking Plot

Putative Targets List

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

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

ChEMBL: CHEMBL2362494

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1749534