TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 377.436 | Formula: C22H23N3O3
H donors: 1 H acceptors: 2 LogP: 4.24 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COCCNc1cc(N2CCCCC2)c2c3c1C(=O)c1ccccc1c3on2
InChi: 1S/C22H23N3O3/c1-27-12-9-23-16-13-17(25-10-5-2-6-11-25)20-19-18(16)21(26)14-7-3-4-8-15(14)22(19)28-24-20/h3-4,7-8,13,23H,2,5-6,9-12H2,1H3
InChiKey: IYLNZNCCBAFXMU-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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	NDR protein kinase	0.0072	0.0802	0.2279
Echinococcus multilocularis	raf serine:threonine protein kinase	0.007	0.0768	0.0742
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0066	0.0155
Brugia malayi	C1-like domain containing protein	0.0187	0.2258	0.6586
Brugia malayi	Variant SH3 domain containing protein	0.0065	0.071	0.2046
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.026	0.3177	0.3158
Echinococcus granulosus	raf serine:threonine protein kinase	0.007	0.0768	0.2181
Brugia malayi	Protein kinase domain containing protein	0.0076	0.0853	0.2465
Loa Loa (eye worm)	hypothetical protein	0.0271	0.3315	0.783
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0036	0.0086
Trichomonas vaginalis	AGC family protein kinase	0.0076	0.0853	1
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0125	0.1467	0.3464
Echinococcus granulosus	N chimaerin	0.0065	0.071	0.2008
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0012	0.0036	0.0024
Schistosoma mansoni	unc-13 (munc13)	0.0071	0.0788	0.2281
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0072	0.0802	0.0776
Trichomonas vaginalis	AGC family protein kinase	0.0072	0.0802	0.4053
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0065	0.071	0.1676
Schistosoma mansoni	diacylglycerol kinase theta	0.0065	0.071	0.2053
Entamoeba histolytica	protein kinase, putative	0.0076	0.0853	0.1468
Echinococcus granulosus	protein kinase c epsilon type	0.0279	0.3422	1
Loa Loa (eye worm)	hypothetical protein	0.0185	0.2223	0.5252
Brugia malayi	Protein kinase domain containing protein	0.0072	0.0802	0.2316
Schistosoma mansoni	serine/threonine protein kinase	0.0068	0.0744	0.2155
Brugia malayi	Variant SH3 domain containing protein	0.0012	0.0033	0.0061
Brugia malayi	diacylglycerol kinase	0.0065	0.071	0.2046
Onchocerca volvulus		0.0119	0.1397	0.241
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0122	0.1431	0.3381
Schistosoma mansoni	serine/threonine protein kinase	0.026	0.3177	0.9282
Trichomonas vaginalis	AGC family protein kinase	0.0076	0.0853	1
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.001	0.0012	0.0028
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0071	0.0788	0.0762
Loa Loa (eye worm)	hypothetical protein	0.0189	0.2274	0.5372
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0072	0.0802	0.1893
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0152	0.1811	0.5275
Brugia malayi	protein kinase C II.	0.0279	0.3422	1
Loa Loa (eye worm)	hypothetical protein	0.0343	0.4234	1
Brugia malayi	RhoGAP domain containing protein	0.0065	0.071	0.2046
Loa Loa (eye worm)	hypothetical protein	0.0065	0.071	0.1676
Trichomonas vaginalis	AGC family protein kinase	0.0076	0.0853	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0788	0.186
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0279	0.3422	0.8084
Brugia malayi	protein kinase C3,putative	0.0149	0.1769	0.5153
Echinococcus granulosus	twitchin	0.0014	0.0063	0.0102
Echinococcus granulosus	protein kinase c eta type	0.0065	0.071	0.2008
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0208	0.2518	0.2497
Echinococcus multilocularis	RNA directed DNA polymerase	0.0116	0.1354	0.1329
Loa Loa (eye worm)	raf kinase	0.0065	0.071	0.1676
Loa Loa (eye worm)	hypothetical protein	0.0065	0.071	0.1676
Schistosoma mansoni	serine/threonine protein kinase	0.0072	0.0802	0.2323
Entamoeba histolytica	protein kinase, putative	0.0072	0.0802	0.0944
Loa Loa (eye worm)	TKL/MLK/MLK protein kinase	0.0011	0.0016	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0271	0.3315	0.783
Brugia malayi	Pleckstrin Homology Domain	0.0069	0.0761	0.2195
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0076	0.0853	0.2014
Schistosoma mansoni	protein kinase C	0.0071	0.0788	0.2281
Loa Loa (eye worm)	hypothetical protein	0.0065	0.071	0.1676
Trichomonas vaginalis	AGC family protein kinase	0.0076	0.0853	1
Loa Loa (eye worm)	hypothetical protein	0.0181	0.218	0.515
Brugia malayi	Variant SH3 domain containing protein	0.0011	0.0016	0.0013
Schistosoma mansoni	rhogef and pleckstrin domain protein	0.0012	0.0033	0.007
Brugia malayi	Protein kinase c protein 2	0.019	0.2293	0.6689
Schistosoma mansoni	serine/threonine protein kinase	0.0279	0.3422	1
Echinococcus multilocularis	serine threonine protein kinase	0.0195	0.2351	0.2329
Schistosoma mansoni	hypothetical protein	0.0065	0.071	0.2053
Schistosoma mansoni	atypical protein kinase C	0.0224	0.2729	0.7968
Loa Loa (eye worm)	hypothetical protein	0.0271	0.3315	0.783
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0076	0.0853	0.5
Echinococcus multilocularis	N chimaerin	0.0065	0.071	0.0683
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0116	0.1354	0.1329
Brugia malayi	RhoGAP domain containing protein	0.0065	0.071	0.2046
Schistosoma mansoni	serine/threonine protein kinase	0.026	0.3177	0.9282
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1397	0.3299
Echinococcus granulosus	serine:threonine protein kinase N2	0.0138	0.1634	0.473
Schistosoma mansoni	serine/threonine protein kinase	0.0072	0.0802	0.2323
Loa Loa (eye worm)	hypothetical protein	0.0116	0.1354	0.3197
Echinococcus granulosus	unc 13 munc13	0.0071	0.0788	0.2238
Loa Loa (eye worm)	hypothetical protein	0.0065	0.071	0.1676
Schistosoma mansoni	nephrin	0.0011	0.0028	0.0056
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0068	0.0744	0.211
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0072	0.0802	0.2279
Loa Loa (eye worm)	hypothetical protein	0.0065	0.071	0.1676
Echinococcus granulosus	protein kinase C gamma type	0.0195	0.2351	0.6842
Brugia malayi	Hr1 repeat family protein	0.0072	0.0802	0.2316
Echinococcus granulosus	protein kinase c iota type	0.0218	0.2653	0.7734
Schistosoma mansoni	rac gtpase activating protein	0.0065	0.071	0.2053
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0761	0.1796
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0072	0.0802	0.1893
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0072	0.0802	0.2279
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0072	0.0802	0.0776
Echinococcus multilocularis	intersectin 2	0.0014	0.006	0.0032
Echinococcus granulosus	mitogen-activated protein kinase kinase kinase 9	0.0276	0.3379	0.9873
Entamoeba histolytica	protein kinase, putative	0.0072	0.0802	0.0944
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0033	0.0077
Echinococcus granulosus	Protein kinase C brain isozyme	0.026	0.3177	0.9278
Schistosoma mansoni	tyrosine kinase	0.0012	0.004	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0065	0.071	0.1676
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0072	0.0802	0.1893
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0065	0.071	0.1676
Schistosoma mansoni	protein kinase C mu	0.0187	0.2258	0.6589
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0072	0.0802	0.2279
Echinococcus multilocularis	Diacylglycerol kinase theta	0.0065	0.071	0.0683
Schistosoma mansoni	diacylglycerol kinase theta	0.0065	0.071	0.2053
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0072	0.0802	0.0776
Schistosoma mansoni	serine/threonine protein kinase	0.0072	0.0802	0.2323
Echinococcus multilocularis	protein kinase c epsilon type	0.0279	0.3422	0.3404
Onchocerca volvulus		0.0189	0.2274	0.5883
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0187	0.2258	0.5334
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0072	0.0802	0.1893
Onchocerca volvulus		0.0271	0.3315	1
Loa Loa (eye worm)	hypothetical protein	0.0336	0.4142	0.9782
Onchocerca volvulus	Tyrosine kinase homolog	0.0142	0.1687	0.3559
Toxoplasma gondii	AGC kinase	0.0072	0.0802	1
Schistosoma mansoni	vav2	0.0069	0.0761	0.2202
Echinococcus granulosus	serine:threonine protein kinase N2	0.0072	0.0802	0.2279
Echinococcus granulosus	roundabout 2	0.0014	0.0066	0.0111
Brugia malayi	Ras association domain family 1 isoform A	0.0065	0.071	0.2046
Schistosoma mansoni	serine/threonine kinase	0.0072	0.0802	0.2323
Echinococcus multilocularis	myotubularin protein 13	0.0069	0.0761	0.0735
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0155	0.1845	0.4357
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0065	0.071	0.2053
Brugia malayi	diacylglycerol kinase	0.0065	0.071	0.2046
Echinococcus granulosus	RNA directed DNA polymerase	0.0116	0.1354	0.3905
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0066	0.0155
Schistosoma mansoni	serine/threonine protein kinase	0.0068	0.0744	0.2155
Echinococcus granulosus	myotubularin protein 13	0.0069	0.0761	0.2158
Brugia malayi	RhoGEF domain containing protein	0.0065	0.071	0.2046
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0065	0.071	0.1676
Trichomonas vaginalis	AGC family protein kinase	0.0076	0.0853	1
Brugia malayi	p70 ribosomal S6 kinase beta	0.0072	0.0802	0.2316
Trichomonas vaginalis	AGC family protein kinase	0.0072	0.0802	0.4053
Schistosoma mansoni	unc-13 (munc13)	0.0071	0.0788	0.2281
Trichomonas vaginalis	AGC family protein kinase	0.0076	0.0853	1
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0072	0.0802	0.0776
Schistosoma mansoni	serine/threonine protein kinase	0.0268	0.3281	0.9584
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0072	0.0802	0.0776
Trichomonas vaginalis	AGC family protein kinase	0.0072	0.0802	0.4053
Echinococcus multilocularis	unc 13 (munc13)	0.0071	0.0788	0.0762
Trichomonas vaginalis	AGC family protein kinase	0.0076	0.0853	1
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0068	0.0744	0.0718
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0187	0.2258	0.6586
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0072	0.0802	0.1893
Onchocerca volvulus		0.0135	0.1599	0.321
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0065	0.071	0.2008
Schistosoma mansoni	cell adhesion molecule	0.0012	0.0036	0.008
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0065	0.071	0.0683
Echinococcus multilocularis	roundabout 2	0.0014	0.0066	0.0038
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0152	0.1811	0.4277
Brugia malayi	Protein kinase domain containing protein	0.0068	0.0744	0.2147
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0276	0.3379	0.3361
Echinococcus granulosus	intersectin 2	0.0014	0.006	0.0093
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0065	0.071	0.2053
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0072	0.0802	0.1893
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1397	0.3299
Echinococcus multilocularis	protein kinase c eta type	0.0065	0.071	0.0683
Schistosoma mansoni	protein kinase C mu	0.0065	0.071	0.2053
Entamoeba histolytica	protein kinase, putative	0.0076	0.0853	0.1468
Echinococcus granulosus	Rac GTPase activating protein 1	0.0065	0.071	0.2008
Echinococcus multilocularis	protein kinase c iota type	0.0218	0.2653	0.2633
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0071	0.0788	0.2238
Loa Loa (eye worm)	Ras association domain family 1 isoform A	0.0065	0.071	0.1676
Echinococcus granulosus	Diacylglycerol kinase theta	0.0065	0.071	0.2008
Schistosoma mansoni	serine/threonine protein kinase	0.007	0.0768	0.2225
Onchocerca volvulus		0.0185	0.2223	0.5681
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0142	0.1685	1
Brugia malayi	Protein kinase domain containing protein	0.0072	0.0802	0.2316
Schistosoma mansoni	serine/threonine protein kinase	0.0072	0.0802	0.2323
Trichomonas vaginalis	AGC family protein kinase	0.0076	0.0853	1
Echinococcus multilocularis	Rac GTPase activating protein 1	0.0065	0.071	0.0683

Activities

No activities found for this compound.

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

Search by Saint Jude

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 896352