TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 285.298 | Formula: C15H15N3O3
H donors: 1 H acceptors: 4 LogP: 0.94 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1ccc(c(c1)CC)N1C(=O)[C@H]2N(C1=O)CC[C@H]2O
InChi: 1S/C15H15N3O3/c1-2-10-7-9(8-16)3-4-11(10)18-14(20)13-12(19)5-6-17(13)15(18)21/h3-4,7,12-13,19H,2,5-6H2,1H3/t12-,13+/m1/s1
InChiKey: GIKABKWZALVTMN-OLZOCXBDSA-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	androgen receptor	Starlite/ChEMBL	References

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
Schistosoma mansoni	cercarial elastase (S01 family)	0.0521	0.1248	0.1248
Onchocerca volvulus		0.0521	0.1248	0.0421
Brugia malayi	EGF-like domain containing protein	0.0503	0.1162	0.1162
Brugia malayi	GCC2 and GCC3 family protein	0.0503	0.1162	0.1162
Loa Loa (eye worm)	Notch2	0.0503	0.1162	0.1162
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0503	0.1162	0.0327
Brugia malayi	Muscle positioning protein 4	0.0503	0.1162	0.1162
Loa Loa (eye worm)	trypsin family protein	0.0521	0.1248	0.1248
Loa Loa (eye worm)	hypothetical protein	0.0441	0.0863	0.0863
Schistosoma mansoni	cercarial elastase (S01 family)	0.0521	0.1248	0.1248
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Brugia malayi	Calcium binding EGF domain containing protein	0.0503	0.1162	0.1162
Loa Loa (eye worm)	hypothetical protein	0.0441	0.0863	0.0863
Onchocerca volvulus		0.0521	0.1248	0.0421
Echinococcus granulosus	neurogenic locus notch protein	0.0503	0.1162	0.2226
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.064	0.1816	0.1816
Onchocerca volvulus		0.064	0.1816	0.1042
Brugia malayi	EGF-like domain containing protein	0.0503	0.1162	0.1162
Schistosoma mansoni	notch	0.0503	0.1162	0.1162
Schistosoma mansoni	cercarial elastase (S01 family)	0.0521	0.1248	0.1248
Schistosoma mansoni	cercarial elastase (S01 family)	0.0521	0.1248	0.1248
Onchocerca volvulus		0.0521	0.1248	0.0421
Echinococcus multilocularis	Tolloid protein 1	0.1015	0.3611	0.6915
Brugia malayi	PAN domain containing protein	0.0441	0.0863	0.0863
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0503	0.1162	0.2226
Echinococcus multilocularis	notch	0.0503	0.1162	0.2226
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.1015	0.3611	0.3611
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0521	0.1248	0.1248
Echinococcus multilocularis	Mastin	0.1351	0.5222	1
Loa Loa (eye worm)	hypothetical protein	0.0441	0.0863	0.0863
Brugia malayi	Fibulin-1 precursor	0.1015	0.3611	0.3611
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.2348	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0521	0.1248	0.1248
Schistosoma mansoni	cercarial elastase (S01 family)	0.0521	0.1248	0.1248
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.1015	0.3611	0.3611
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0521	0.1248	0.239
Brugia malayi	Trypsin family protein	0.0521	0.1248	0.1248
Brugia malayi	Trypsin family protein	0.0521	0.1248	0.1248
Loa Loa (eye worm)	hypothetical protein	0.0521	0.1248	0.1248
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.1015	0.3611	0.3611
Trichomonas vaginalis	conserved hypothetical protein	0.0304	0.0208	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0521	0.1248	0.1248
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Echinococcus granulosus	protein jagged 2	0.0503	0.1162	0.2226
Brugia malayi	PAN domain containing protein	0.0441	0.0863	0.0863
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0901	0.3066	0.2728
Schistosoma mansoni	cercarial elastase (S01 family)	0.0521	0.1248	0.1248
Onchocerca volvulus		0.1827	0.7502	0.7266
Schistosoma mansoni	hypothetical protein	0.0503	0.1162	0.1162
Echinococcus multilocularis	neural cadherin	0.0503	0.1162	0.2226
Schistosoma mansoni	laminin gamma-3 chain	0.0503	0.1162	0.1162
Echinococcus granulosus	laminin	0.1015	0.3611	0.6915
Loa Loa (eye worm)	hypothetical protein	0.0441	0.0863	0.0863
Brugia malayi	Calcium binding EGF domain containing protein	0.1015	0.3611	0.3611
Onchocerca volvulus	Slit protein homolog	0.0503	0.1162	0.0327
Brugia malayi	PAN domain containing protein	0.0441	0.0863	0.0863
Schistosoma mansoni	cell polarity protein	0.0503	0.1162	0.1162
Brugia malayi	PAN domain containing protein	0.0441	0.0863	0.0863
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0901	0.3066	0.5946
Trypanosoma cruzi	hypothetical protein, conserved	0.1307	0.5014	1
Schistosoma mansoni	hypothetical protein	0.1307	0.5014	0.5014
Brugia malayi	Delta serrate ligand family protein	0.0503	0.1162	0.1162
Echinococcus granulosus	neural cadherin	0.0503	0.1162	0.2226
Echinococcus granulosus	transmembrane protease serine 3	0.0521	0.1248	0.239
Echinococcus granulosus	Mastin	0.1351	0.5222	1
Toxoplasma gondii	calcium binding egf domain-containing protein	0.1015	0.3611	0.3404
Echinococcus granulosus	thymidylate synthase	0.064	0.1816	0.3477
Loa Loa (eye worm)	hypothetical protein	0.0521	0.1248	0.1248
Loa Loa (eye worm)	hypothetical protein	0.0441	0.0863	0.0863
Echinococcus granulosus	glycoprotein Antigen 5	0.1351	0.5222	1
Echinococcus granulosus	protein jagged 2	0.0503	0.1162	0.2226
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Schistosoma mansoni	notch	0.0503	0.1162	0.1162
Onchocerca volvulus		0.1307	0.5014	0.4543
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0521	0.1248	0.1248
Loa Loa (eye worm)	notch protein	0.0503	0.1162	0.1162
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.1015	0.3611	0.3611
Brugia malayi	PAN domain containing protein	0.0441	0.0863	0.0863
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0521	0.1248	0.239
Schistosoma mansoni	septate junction protein	0.0503	0.1162	0.1162
Brugia malayi	EGF-like domain containing protein	0.0503	0.1162	0.1162
Brugia malayi	thymidylate synthase	0.064	0.1816	0.1816
Onchocerca volvulus		0.2348	1	1
Loa Loa (eye worm)	PAN domain-containing protein	0.0441	0.0863	0.0863
Loa Loa (eye worm)	PAN domain-containing protein	0.0441	0.0863	0.0863
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.1307	0.5014	1
Toxoplasma gondii	PAN domain-containing protein	0.2126	0.8937	1
Mycobacterium ulcerans	thymidylate synthase	0.064	0.1816	1
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0521	0.1248	0.239
Mycobacterium ulcerans	hypothetical protein	0.0521	0.1248	0.6874
Echinococcus multilocularis	tissue type plasminogen activator	0.1307	0.5014	0.9601
Brugia malayi	EGF-like domain containing protein	0.0503	0.1162	0.1162
Brugia malayi	PAN domain containing protein	0.0441	0.0863	0.0863
Echinococcus multilocularis	glycoprotein Antigen 5	0.1351	0.5222	1
Echinococcus granulosus	fibropellin Ia	0.0503	0.1162	0.2226
Brugia malayi	hypothetical protein	0.0521	0.1248	0.1248
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Schistosoma mansoni	egf-like domain protein	0.1015	0.3611	0.3611
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0521	0.1248	0.1248
Schistosoma mansoni	notch	0.0503	0.1162	0.1162
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Brugia malayi	PAN domain containing protein	0.0441	0.0863	0.0863
Echinococcus multilocularis	protein jagged 2	0.0503	0.1162	0.2226
Loa Loa (eye worm)	PAN domain-containing protein	0.0441	0.0863	0.0863
Schistosoma mansoni	hypothetical protein	0.0503	0.1162	0.1162
Loa Loa (eye worm)	TK/ROR protein kinase	0.1307	0.5014	0.5014
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Onchocerca volvulus		0.0503	0.1162	0.0327
Echinococcus multilocularis	laminin	0.1015	0.3611	0.6915
Echinococcus multilocularis	neurogenic locus protein delta	0.0503	0.1162	0.2226
Schistosoma mansoni	hypothetical protein	0.0503	0.1162	0.1162
Echinococcus granulosus	neurogenic locus notch protein 4	0.0503	0.1162	0.2226
Echinococcus granulosus	Tolloid protein 1	0.1015	0.3611	0.6915
Plasmodium falciparum	cysteine repeat modular protein 1	0.1307	0.5014	1
Echinococcus multilocularis	fibrillin 1	0.1015	0.3611	0.6915
Brugia malayi	PAN domain containing protein	0.0441	0.0863	0.0863
Echinococcus multilocularis	fibropellin Ia	0.0503	0.1162	0.2226
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.2348	1	1
Onchocerca volvulus		0.0503	0.1162	0.0327
Echinococcus multilocularis	neurogenic locus notch protein	0.0503	0.1162	0.2226
Onchocerca volvulus	Putative cubilin	0.0503	0.1162	0.0327
Loa Loa (eye worm)	hypothetical protein	0.1015	0.3611	0.3611
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Onchocerca volvulus		0.0503	0.1162	0.0327
Loa Loa (eye worm)	hypothetical protein	0.1015	0.3611	0.3611
Brugia malayi	EGF-like domain containing protein	0.0503	0.1162	0.1162
Onchocerca volvulus		0.0503	0.1162	0.0327
Schistosoma mansoni	hypothetical protein	0.0521	0.1248	0.1248
Echinococcus granulosus	delta-like protein 1	0.0503	0.1162	0.2226
Giardia lamblia	High cysteine protein	0.0503	0.1162	0.5
Brugia malayi	Kringle domain containing protein	0.1307	0.5014	0.5014
Onchocerca volvulus		0.0521	0.1248	0.0421
Brugia malayi	hypothetical protein	0.0304	0.0208	0.0208
Schistosoma mansoni	cercarial elastase (S01 family)	0.0521	0.1248	0.1248
Brugia malayi	PAN domain containing protein	0.0441	0.0863	0.0863
Schistosoma mansoni	hypothetical protein	0.0521	0.1248	0.1248
Loa Loa (eye worm)	thymidylate synthase	0.064	0.1816	0.1816
Loa Loa (eye worm)	hypothetical protein	0.0521	0.1248	0.1248
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Onchocerca volvulus	Neurogenic locus notch homolog	0.0503	0.1162	0.0327
Echinococcus granulosus	neurogenic locus notch protein	0.0503	0.1162	0.2226
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Brugia malayi	EGF-like domain containing protein	0.0503	0.1162	0.1162
Schistosoma mansoni	notch	0.0503	0.1162	0.1162
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Onchocerca volvulus	Arrow homolog	0.1015	0.3611	0.3008
Echinococcus multilocularis	neurogenic locus protein delta	0.0503	0.1162	0.2226
Brugia malayi	Cadherin domain containing protein	0.0503	0.1162	0.1162
Echinococcus multilocularis	protein jagged 1	0.0503	0.1162	0.2226
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0503	0.1162	0.2226
Echinococcus multilocularis	slit 2 protein	0.0503	0.1162	0.2226
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.064	0.1816	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0521	0.1248	0.1248
Loa Loa (eye worm)	hypothetical protein	0.0521	0.1248	0.1248
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0521	0.1248	0.1248
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0521	0.1248	0.1248
Brugia malayi	PAN domain containing protein	0.0441	0.0863	0.0863
Loa Loa (eye worm)	hypothetical protein	0.1015	0.3611	0.3611
Echinococcus granulosus	tissue type plasminogen activator	0.1307	0.5014	0.9601
Loa Loa (eye worm)	hypothetical protein	0.2348	1	1
Schistosoma mansoni	hypothetical protein	0.0503	0.1162	0.1162
Echinococcus granulosus	protein jagged 1	0.0503	0.1162	0.2226
Echinococcus multilocularis	protein jagged 1	0.0503	0.1162	0.2226
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.1351	0.5222	0.5222
Loa Loa (eye worm)	hypothetical protein	0.1015	0.3611	0.3611
Toxoplasma gondii	calcium binding egf domain-containing protein	0.1015	0.3611	0.3404
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Loa Loa (eye worm)	PAN domain-containing protein	0.0441	0.0863	0.0863
Loa Loa (eye worm)	hypothetical protein	0.0441	0.0863	0.0863
Echinococcus multilocularis	transmembrane protease serine 3	0.0521	0.1248	0.239
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0503	0.1162	0.1162
Schistosoma mansoni	slit	0.0503	0.1162	0.1162
Brugia malayi	Calcium binding EGF domain containing protein	0.0503	0.1162	0.1162
Schistosoma mansoni	cercarial elastase (S01 family)	0.0521	0.1248	0.1248
Brugia malayi	Cadherin domain containing protein	0.0503	0.1162	0.1162
Echinococcus multilocularis	neurogenic locus notch protein	0.0503	0.1162	0.2226
Loa Loa (eye worm)	hypothetical protein	0.2348	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0521	0.1248	0.1248
Onchocerca volvulus		0.0503	0.1162	0.0327
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.064	0.1816	1
Schistosoma mansoni	hypothetical protein	0.0503	0.1162	0.1162
Brugia malayi	Calcium binding EGF domain containing protein	0.0503	0.1162	0.1162
Toxoplasma gondii	kringle domain-containing protein	0.1307	0.5014	0.5141
Brugia malayi	EGF-like domain containing protein	0.0503	0.1162	0.1162
Schistosoma mansoni	hypothetical protein	0.0503	0.1162	0.1162
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Loa Loa (eye worm)	hypothetical protein	0.1015	0.3611	0.3611
Toxoplasma gondii	PAN domain-containing protein	0.2126	0.8937	1
Brugia malayi	Trypsin-like protease protein 5	0.0521	0.1248	0.1248
Loa Loa (eye worm)	hypothetical protein	0.0521	0.1248	0.1248
Mycobacterium tuberculosis	Hypothetical protein	0.0304	0.0208	0.1148
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Loa Loa (eye worm)	PAN domain-containing protein	0.0441	0.0863	0.0863
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0901	0.3066	0.5
Echinococcus multilocularis	thymidylate synthase	0.064	0.1816	0.3477
Loa Loa (eye worm)	hypothetical protein	0.0441	0.0863	0.0863
Schistosoma mansoni	notch	0.0503	0.1162	0.1162
Echinococcus granulosus	enteropeptidase	0.1351	0.5222	1
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Schistosoma mansoni	hypothetical protein	0.0503	0.1162	0.1162
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Echinococcus granulosus	slit 2 protein	0.0503	0.1162	0.2226
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0521	0.1248	0.239
Leishmania major	hypothetical protein, conserved	0.1307	0.5014	1
Echinococcus multilocularis	enteropeptidase	0.1351	0.5222	1
Schistosoma mansoni	notch	0.0503	0.1162	0.1162
Loa Loa (eye worm)	hypothetical protein	0.1307	0.5014	0.5014
Chlamydia trachomatis	dihydrofolate reductase	0.0261	0	0.5
Echinococcus granulosus	notch	0.0503	0.1162	0.2226
Brugia malayi	Protein kinase domain containing protein	0.1307	0.5014	0.5014
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.1015	0.3611	0.3611
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0503	0.1162	0.1162
Toxoplasma gondii	EGF family domain-containing protein	0.0503	0.1162	0.037
Echinococcus granulosus	neurogenic locus protein delta	0.0503	0.1162	0.2226
Echinococcus granulosus	protein jagged 1	0.0503	0.1162	0.2226
Brugia malayi	notch-like transmembrane receptor	0.0503	0.1162	0.1162
Onchocerca volvulus		0.0521	0.1248	0.0421
Loa Loa (eye worm)	hypothetical protein	0.0503	0.1162	0.1162
Brugia malayi	Trypsin family protein	0.0521	0.1248	0.1248

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 79 nM	Agonist activity at human AR	ChEMBL.	17292608
EC50 (functional)	= 79 nM	Agonist activity at human AR	ChEMBL.	17292608
Ki (binding)	= 14 nM	Binding affinity to human AR	ChEMBL.	17292608
Ki (binding)	= 14 nM	Binding affinity to human AR	ChEMBL.	17292608

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: CHEMBL231328

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 429142