TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 363.496 | Formula: C23H29N3O
H donors: 0 H acceptors: 2 LogP: 5.45 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CC(N(C(=O)Cn1c(nc2c1cccc2)CC(C)(C)C)c1ccccc1)C
InChi: 1S/C23H29N3O/c1-17(2)26(18-11-7-6-8-12-18)22(27)16-25-20-14-10-9-13-19(20)24-21(25)15-23(3,4)5/h6-14,17H,15-16H2,1-5H3
InChiKey: XWRVRNXMPLUBJW-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
Toxoplasma gondii	aurora kinase	0.0419	0.0987	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0015	0.0048
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0145	0.0285	0.5
Echinococcus multilocularis	hemicentin 1	0.0039	0.0015	0.0021
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0145	0.0285	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0419	0.0987	0.3117
Echinococcus multilocularis	microtubule associated protein 2	0.08	0.1963	0.2812
Brugia malayi	hypothetical protein	0.0181	0.0377	0.1234
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0051	0.0044	0.0144
Leishmania major	protein kinase, putative	0.0419	0.0987	0.3117
Echinococcus granulosus	Serine:threonine protein kinase PLK4	0.2758	0.6982	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0039	0.0015	0.0048
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0039	0.0015	0.0021
Schistosoma mansoni	serine/threonine protein kinase	0.0419	0.0987	0.0974
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0145	0.0285	0.5
Echinococcus multilocularis	peroxidasin	0.0039	0.0015	0.0021
Echinococcus granulosus	hemicentin 1	0.0039	0.0015	0.0021
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0145	0.0285	0.5
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0419	0.0987	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0039	0.0015	0.0048
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0145	0.0285	0.5
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.1189	0.2961	0.4241
Trichomonas vaginalis	CAMK family protein kinase	0.1189	0.2961	1
Echinococcus multilocularis	lachesin	0.0039	0.0015	0.0021
Brugia malayi	serine/threonine protein kinase 6	0.0419	0.0987	0.3236
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.1224	0.305	1
Echinococcus multilocularis	roundabout 2	0.0039	0.0015	0.0021
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0039	0.0015	0.0021
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0039	0.0015	0.0021
Trypanosoma brucei	aurora B kinase	0.0419	0.0987	0.3117
Brugia malayi	Prion-like-	0.0039	0.0015	0.0048
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0181	0.0377	0.1234
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0377	0.1234
Loa Loa (eye worm)	hypothetical protein	0.022	0.0477	0.1565
Trypanosoma cruzi	cytochrome P450, putative	0.0234	0.0514	0.1469
Trichomonas vaginalis	CAMK family protein kinase	0.1189	0.2961	1
Echinococcus granulosus	microtubule associated protein 2	0.08	0.1963	0.2812
Schistosoma mansoni	tyrosine kinase	0.0056	0.0057	0.0042
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0039	0.0015	0.0048
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0145	0.0285	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0377	0.1234
Brugia malayi	serine/threonine-protein kinase plk-2	0.1189	0.2961	0.9707
Trichomonas vaginalis	AGC family protein kinase	0.0419	0.0987	0.3117
Trypanosoma cruzi	aurora B kinase, putative	0.0419	0.0987	0.3117
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.007	0.0093	0.0305
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0181	0.0377	0.0539
Echinococcus granulosus	twitchin	0.0209	0.045	0.0645
Schistosoma mansoni	cell adhesion molecule	0.0203	0.0433	0.0419
Loa Loa (eye worm)	cytochrome P450 family protein	0.0535	0.1285	0.4214
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0039	0.0015	0.0048
Echinococcus multilocularis	tyrosine protein kinase otk	0.0039	0.0015	0.0021
Schistosoma mansoni	hypothetical protein	0.0145	0.0285	0.0271
Echinococcus granulosus	defective proboscis extension response	0.0181	0.0377	0.0539
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0039	0.0015	0.0048
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.1189	0.2961	0.4241
Echinococcus multilocularis	mitogen activated protein kinase	0.007	0.0093	0.0133
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0145	0.0285	0.5
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0015	0.0048
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0419	0.0987	0.1414
Schistosoma mansoni	serine/threonine protein kinase	0.1189	0.2961	0.2951
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0015	0.0048
Echinococcus granulosus	contactin	0.0039	0.0015	0.0021
Loa Loa (eye worm)	AUR protein kinase	0.0419	0.0987	0.3236
Loa Loa (eye worm)	cytochrome P450	0.0145	0.0285	0.0933
Mycobacterium leprae	Conserved hypothetical protein	0.0145	0.0285	0.5
Schistosoma mansoni	nephrin	0.0198	0.0421	0.0407
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0039	0.0015	0.0048
Leishmania major	cytochrome p450-like protein	0.0145	0.0285	0.0668
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0039	0.0015	0.0021
Trichomonas vaginalis	CAMK family protein kinase	0.1189	0.2961	1
Loa Loa (eye worm)	hypothetical protein	0.022	0.0477	0.1565
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0203	0.0433	0.062
Echinococcus granulosus	peroxidasin	0.0039	0.0015	0.0021
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0419	0.0987	0.1414
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0039	0.0015	0.0048
Trichomonas vaginalis	CAMK family protein kinase	0.1189	0.2961	1
Echinococcus multilocularis	neurotracting:lsamp:neurotrimin:obcam	0.0039	0.0015	0.0021
Loa Loa (eye worm)	AUR protein kinase	0.0419	0.0987	0.3236
Leishmania major	cytochrome p450-like protein	0.0145	0.0285	0.0668
Echinococcus granulosus	cytochrome P450 2K1	0.0145	0.0285	0.0408
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0145	0.0285	0.5
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0181	0.0377	0.0363
Brugia malayi	Fibronectin type III domain containing protein	0.0181	0.0377	0.1234
Brugia malayi	Cytochrome P450 family protein	0.0535	0.1285	0.4214
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0419	0.0987	0.5
Echinococcus multilocularis	Immunoglobulin	0.0181	0.0377	0.0539
Schistosoma mansoni	protein kinase	0.0419	0.0987	0.0974
Loa Loa (eye worm)	CYP4Cod1	0.0234	0.0514	0.1686
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0377	0.1234
Echinococcus granulosus	roundabout 2	0.022	0.0477	0.0684
Onchocerca volvulus	Serine\/threonine kinase homolog	0.1189	0.2961	1
Echinococcus multilocularis	neuroglian	0.0198	0.0421	0.0603
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0145	0.0285	0.5
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0145	0.0285	0.2144
Brugia malayi	serine/threonine kinase 12	0.0419	0.0987	0.3236
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.1189	0.2961	0.9707
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0145	0.0285	0.5
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.1189	0.2961	1
Trichomonas vaginalis	CAMK family protein kinase	0.1189	0.2961	1
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0145	0.0285	0.5
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0039	0.0015	0.0048
Trypanosoma cruzi	cytochrome P450, putative	0.0234	0.0514	0.1469
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0039	0.0015	0.0048
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0145	0.0285	0.0668
Trypanosoma cruzi	polo-like protein kinase, putative	0.1189	0.2961	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0039	0.0015	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0015	0.0048
Echinococcus multilocularis	roundabout 2	0.022	0.0477	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0015	0.0048
Brugia malayi	Cytochrome P450 family protein	0.0234	0.0514	0.1686
Trichomonas vaginalis	AGC family protein kinase	0.0419	0.0987	0.3117
Echinococcus granulosus	mitogen activated protein kinase	0.007	0.0093	0.0133
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0039	0.0015	0.0048
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0145	0.0285	0.5
Brugia malayi	Peroxidasin	0.0039	0.0015	0.0048
Schistosoma mansoni	cytochrome P450	0.0145	0.0285	0.0271
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0145	0.0285	0.5
Trypanosoma cruzi	polo-like protein kinase, putative	0.1189	0.2961	1
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0145	0.0285	0.5
Echinococcus granulosus	neuroglian	0.0198	0.0421	0.0603
Schistosoma mansoni	vesicular amine transporter	0.0181	0.0377	0.0363
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0145	0.0285	0.5
Echinococcus granulosus	lachesin	0.0039	0.0015	0.0021
Echinococcus multilocularis	Immunoglobulin	0.0181	0.0377	0.0539
Echinococcus granulosus	roundabout 2	0.0039	0.0015	0.0021
Echinococcus multilocularis	mitogen activated protein kinase 3	0.007	0.0093	0.0133
Giardia lamblia	Aurora kinase	0.0419	0.0987	0.3117
Loa Loa (eye worm)	hypothetical protein	0.0203	0.0433	0.142
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0039	0.0015	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0015	0.0048
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0145	0.0285	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.1189	0.2961	1
Onchocerca volvulus	Tyrosine kinase homolog	0.1039	0.2575	0.869
Loa Loa (eye worm)	cytochrome P450 family protein	0.0234	0.0514	0.1686
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0145	0.0285	0.0668
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0145	0.0285	0.5
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0015	0.0048
Echinococcus granulosus	tyrosine protein kinase otk	0.0039	0.0015	0.0021
Echinococcus granulosus	mitogen activated protein kinase 3	0.007	0.0093	0.0133
Brugia malayi	MAP kinase sur-1	0.007	0.0093	0.0305
Brugia malayi	Cytochrome P450 family protein	0.0234	0.0514	0.1686
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0145	0.0285	0.5
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0015	0.0048
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0145	0.0285	0.0668
Trypanosoma brucei	polo-like protein kinase	0.1189	0.2961	1
Trichomonas vaginalis	AGC family protein kinase	0.0419	0.0987	0.3117
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0145	0.0285	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.1224	0.305	1
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0145	0.0285	0.5
Echinococcus multilocularis	aurora kinase A	0.0419	0.0987	0.1414
Brugia malayi	Cytochrome P450 family protein	0.0145	0.0285	0.0933
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0377	0.1234
Echinococcus multilocularis	hemicentin 1	0.0039	0.0015	0.0021
Trypanosoma brucei	cytochrome P450, putative	0.0234	0.0514	0.1469
Echinococcus multilocularis	Serine:threonine protein kinase PLK4	0.2758	0.6982	1
Trichomonas vaginalis	CAMK family protein kinase	0.1189	0.2961	1
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0181	0.0377	0.0363
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0039	0.0015	0.0048
Echinococcus granulosus	roundabout 2	0.0039	0.0015	0.0021
Echinococcus granulosus	Immunoglobulin	0.0181	0.0377	0.0539
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0377	0.1234
Loa Loa (eye worm)	AUR protein kinase	0.0419	0.0987	0.3236
Echinococcus multilocularis	neuroglian	0.0039	0.0015	0.0021
Giardia lamblia	Kinase, PLK	0.1189	0.2961	1
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0145	0.0285	0.5
Echinococcus granulosus	aurora kinase A	0.0419	0.0987	0.1414
Schistosoma mansoni	microtubule-associated protein tau	0.08	0.1963	0.1952
Onchocerca volvulus		0.1005	0.2489	0.8397
Brugia malayi	cytochrome P450	0.0145	0.0285	0.0933
Echinococcus granulosus	neuroglian	0.0039	0.0015	0.0021
Brugia malayi	serine/threonine-protein kinase 6	0.0419	0.0987	0.3236
Leishmania major	cytochrome p450-like protein	0.0234	0.0514	0.1469
Echinococcus multilocularis		0.0145	0.0285	0.0408
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0377	0.1234
Entamoeba histolytica	serine/threonine protein kinase, putative	0.1189	0.2961	1
Mycobacterium leprae	putative cytochrome p450	0.0145	0.0285	0.5
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0234	0.0514	1
Schistosoma mansoni	serine/threonine protein kinase	0.007	0.0093	0.0079
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0145	0.0285	0.0668
Loa Loa (eye worm)	hypothetical protein	0.009	0.0143	0.047
Loa Loa (eye worm)	cytochrome P450 family protein	0.0234	0.0514	0.1686
Echinococcus multilocularis	roundabout 2	0.0039	0.0015	0.0021

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 826679