TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 423.935 | Formula: C24H26ClN3O2
H donors: 0 H acceptors: 2 LogP: 3.39 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CC1)CCCn1c2c3ccccc3C(=O)c2c2c(c1=O)cccc2.Cl
InChi: 1S/C24H25N3O2.ClH/c1-25-13-15-26(16-14-25)11-6-12-27-22-18-8-3-4-9-19(18)23(28)21(22)17-7-2-5-10-20(17)24(27)29;/h2-5,7-10H,6,11-16H2,1H3;1H
InChiKey: HOYDXNUWLOFVAZ-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Echinococcus granulosus	serine:threonine protein kinase N2	0.005	0.1176	0.0587
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0043	0.0902	0.0294
Brugia malayi	p70 ribosomal S6 kinase beta	0.005	0.1176	0.073
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0085	0.2478	0.1975
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0043	0.0902	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0227	0.7847	1
Echinococcus granulosus	NDR protein kinase	0.005	0.1176	0.0587
Trichomonas vaginalis	AGC family protein kinase	0.005	0.1176	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.1176	0.0762
Brugia malayi	Protein kinase domain containing protein	0.005	0.1176	0.073
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.005	0.1176	0.0762
Brugia malayi	bZIP transcription factor family protein	0.0085	0.2478	0.2456
Schistosoma mansoni	serine/threonine protein kinase	0.0036	0.0667	0.0043
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0192	0.6519	0.6286
Brugia malayi	Protein kinase domain containing protein	0.005	0.1176	0.073
Echinococcus multilocularis	potassium voltage gated channel protein	0.017	0.5706	0.5419
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0085	0.2478	0.1975
Brugia malayi	Protein kinase domain containing protein	0.005	0.1176	0.073
Schistosoma mansoni	protein kinase C mu	0.0036	0.0667	0.0043
Brugia malayi	Protein kinase domain containing protein	0.0036	0.0667	0.0054
Trichomonas vaginalis	r2r3-MYB transcription factor, putative	0.0019	0.0003	0.0028
Schistosoma mansoni	hypothetical protein	0.0069	0.1882	0.134
Echinococcus multilocularis	serine threonine protein kinase	0.0249	0.8672	0.8584
Entamoeba histolytica	protein kinase, putative	0.005	0.1176	0.6325
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0117	0.3697	0.3276
Trichomonas vaginalis	AGC family protein kinase	0.005	0.1176	1
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.005	0.1176	0.0762
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0036	0.0667	0.0043
Trichomonas vaginalis	AGC family protein kinase	0.005	0.1176	1
Schistosoma mansoni	voltage-gated potassium channel	0.017	0.5706	0.5419
Schistosoma mansoni	unc-13 (munc13)	0.0043	0.0902	0.0294
Entamoeba histolytica	diacylglycerol kinase, putative	0.0035	0.0626	0.3368
Entamoeba histolytica	hypothetical protein	0.0035	0.0626	0.3368
Onchocerca volvulus		0.0043	0.0902	0.236
Trichomonas vaginalis	AGC family protein kinase	0.005	0.1176	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.239	0.2443
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0049	0.1136	0.9656
Echinococcus granulosus	unc 13 munc13	0.0043	0.0902	0.0294
Trichomonas vaginalis	r2r3-MYB transcription factor, putative	0.0019	0.0003	0.0028
Echinococcus granulosus	protein kinase C gamma type	0.0249	0.8672	0.8584
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0068	0.186	1
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.005	0.1176	0.0762
Schistosoma mansoni	atypical protein kinase C	0.0085	0.2504	0.2003
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.1176	0.0587
Echinococcus multilocularis	jun protein	0.0085	0.2478	0.1975
Schistosoma mansoni	serine/threonine protein kinase	0.0284	1	1
Echinococcus granulosus	RNA directed DNA polymerase	0.0192	0.6519	0.6286
Echinococcus multilocularis	protein kinase c iota type	0.0085	0.2504	0.2003
Giardia lamblia	Myb 1-like protein	0.0019	0.0003	0.5
Schistosoma mansoni	jun-related protein	0.0069	0.1882	0.134
Brugia malayi	protein kinase C3,putative	0.0036	0.0667	0.0054
Entamoeba histolytica	protein kinase, putative	0.005	0.1176	0.6325
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.005	0.1176	0.0587
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.005	0.1176	0.0587
Trichomonas vaginalis	AGC family protein kinase	0.005	0.1176	1
Echinococcus granulosus	jun protein	0.0085	0.2478	0.1975
Schistosoma mansoni	voltage-gated potassium channel	0.017	0.5706	0.5419
Toxoplasma gondii	diacylglycerol kinase, putative	0.0035	0.0626	0.5311
Trypanosoma brucei	rac serine-threonine kinase, putative	0.005	0.1176	0.5
Toxoplasma gondii	AGC kinase	0.005	0.1176	1
Entamoeba histolytica	protein kinase, putative	0.005	0.1176	0.6325
Loa Loa (eye worm)	AGC/NDR protein kinase	0.005	0.1176	0.0762
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0036	0.0667	0.0056
Trichomonas vaginalis	MYB, putative	0.0019	0.0003	0.0028
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.005	0.1176	0.0587
Trichomonas vaginalis	AGC family protein kinase	0.005	0.1176	1
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.005	0.1176	0.0587
Echinococcus granulosus	potassium voltage gated channel subfamily A	0.017	0.5706	0.5419
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.005	0.1176	0.0587
Brugia malayi	C1-like domain containing protein	0.0036	0.0667	0.0054
Echinococcus granulosus	serine:threonine protein kinase N2	0.0068	0.186	0.1316
Entamoeba histolytica	protein kinase, putative	0.005	0.1176	0.6325
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.005	0.1176	0.0587
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.016	0.53	0.6473
Schistosoma mansoni	serine/threonine protein kinase	0.0284	1	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.005	0.1176	0.0587
Echinococcus multilocularis	serine:threonine protein kinase 38	0.005	0.1176	0.0587
Brugia malayi	Protein kinase c protein 2	0.0236	0.8163	1
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0036	0.0667	0.0054
Schistosoma mansoni	protein kinase C	0.0043	0.0902	0.0294
Echinococcus granulosus	potassium voltage gated channel protein	0.017	0.5706	0.5419
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.005	0.1176	0.0762
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.02	0.6835	0.8599
Onchocerca volvulus		0.0066	0.1795	1
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.1176	0.0587
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.1176	0.0587
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0902	0.0382
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0036	0.0667	0.0043
Echinococcus granulosus	protein kinase c epsilon type	0.016	0.53	0.4986
Entamoeba histolytica	diacylglycerol kinase, putative	0.0035	0.0626	0.3368
Schistosoma mansoni	serine/threonine kinase	0.005	0.1176	0.0587
Echinococcus granulosus	protein kinase c iota type	0.0085	0.2504	0.2003
Brugia malayi	Hr1 repeat family protein	0.005	0.1176	0.073
Schistosoma mansoni	serine/threonine protein kinase	0.0036	0.0667	0.0043
Echinococcus multilocularis	protein kinase c epsilon type	0.016	0.53	0.4986
Loa Loa (eye worm)	AGC/PKN protein kinase	0.005	0.1176	0.0762
Schistosoma mansoni	unc-13 (munc13)	0.0043	0.0902	0.0294
Loa Loa (eye worm)	AGC/AKT protein kinase	0.005	0.1176	0.0762
Echinococcus multilocularis	potassium voltage gated channel subfamily A	0.0163	0.5426	0.512
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0036	0.0667	0.0056
Trichomonas vaginalis	AGC family protein kinase	0.005	0.1176	1
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.1176	0.0587
Trichomonas vaginalis	AGC family protein kinase	0.005	0.1176	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.5706	0.7035
Trichomonas vaginalis	AGC family protein kinase	0.005	0.1176	1
Echinococcus multilocularis	unc 13 (munc13)	0.0043	0.0902	0.0294
Brugia malayi	hypothetical protein	0.0066	0.1795	0.1551
Loa Loa (eye worm)	hypothetical protein	0.0192	0.6519	0.8161
Trichomonas vaginalis	AGC family protein kinase	0.005	0.1176	1
Trichomonas vaginalis	AGC family protein kinase	0.005	0.1176	1
Brugia malayi	protein kinase C II.	0.016	0.53	0.6202
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0284	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.016	0.53	0.4986
Brugia malayi	Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit	0.017	0.5706	0.674
Echinococcus multilocularis	RNA directed DNA polymerase	0.0192	0.6519	0.6286

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.7 uM	Growth inhibition of human HT-29 cells expressing c-Kit after 96 hrs by SRB assay	ChEMBL.	24900212

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	24900212

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: CHEMBL1773219

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1522376