TDR Targets

Basic information

Technical information

TDR Targets ID: 615870
Name: STOCK3S-88452
MW: 413.472 | Formula: C24H23N5O2
H donors: 1 H acceptors: 2 LogP: 2.39 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: C=CCn1c(=N)c(cc2c1nc1c(C)cccn1c2=O)C(=O)NCc1ccc(cc1)C
InChi: 1S/C24H23N5O2/c1-4-11-28-20(25)18(23(30)26-14-17-9-7-15(2)8-10-17)13-19-22(28)27-21-16(3)6-5-12-29(21)24(19)31/h4-10,12-13,25H,1,11,14H2,2-3H3,(H,26,30)
InChiKey: BJGMNIIIOPQQAU-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
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	0.5
Onchocerca volvulus		0.0369	0.2535	0.3965
Brugia malayi	Steroid receptor seven-up type 2	0.0369	0.2535	0.3965
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0369	0.2535	0.3965
Loa Loa (eye worm)	hypothetical protein	0.0873	0.6394	1
Schistosoma mansoni	coup transcription factor	0.0369	0.2535	0.2477
Schistosoma mansoni	nuclear hormone receptor	0.0369	0.2535	0.2477
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0948	0.1483
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	0.5
Trichomonas vaginalis	chromobox protein, putative	0.0067	0.0227	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0369	0.2535	0.3965
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0948	0.1483
Brugia malayi	nuclear receptor RXR	0.0207	0.1298	0.203
Schistosoma mansoni	nuclear hormone receptor	0.0162	0.0948	0.0878
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0369	0.2535	0.2362
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0077	0.0297	0.0464
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0162	0.0948	0.0738
Schistosoma mansoni	zinc finger protein	0.0162	0.0948	0.0878
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0369	0.2535	0.2362
Brugia malayi	ecdysteroid receptor	0.0873	0.6394	1
Brugia malayi	nuclear hormone receptor	0.0369	0.2535	0.3965
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0077	0.0297	0.0071
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0162	0.0948	0.1483
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0369	0.2535	0.2362
Loa Loa (eye worm)	hypothetical protein	0.0369	0.2535	0.3965
Schistosoma mansoni	hypothetical protein	0.0165	0.0977	0.0907
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0369	0.2535	0.2477
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0369	0.2535	0.3965
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0186	1
Loa Loa (eye worm)	hypothetical protein	0.0369	0.2535	0.3965
Trypanosoma cruzi	cruzipain precursor, putative	0.0062	0.0186	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	0.5
Brugia malayi	Heterochromatin protein 1	0.0067	0.0227	0.0355
Schistosoma mansoni	hypothetical protein	0.0077	0.0297	0.0221
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0369	0.2535	0.2477
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0369	0.2535	0.3965
Onchocerca volvulus		0.0162	0.0948	0.1483
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0948	0.1483
Brugia malayi	hypothetical protein	0.0207	0.1298	0.203
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0948	0.1483
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0369	0.2535	0.3965
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0297	0.0464
Brugia malayi	photoreceptor-specific nuclear receptor	0.0369	0.2535	0.3965
Echinococcus granulosus	thyroid hormone receptor alpha	0.0632	0.4552	0.4425
Echinococcus granulosus	GPCR family 2	0.0077	0.0297	0.0071
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0369	0.2535	0.2362
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0077	0.0297	0.0071
Schistosoma mansoni	hypothetical protein	0.0077	0.0297	0.0221
Loa Loa (eye worm)	hypothetical protein	0.0369	0.2535	0.3965
Brugia malayi	orphan nuclear receptor NR2E1	0.0162	0.0948	0.1483
Brugia malayi	Nuclear hormone receptor-like 1	0.0369	0.2535	0.3965
Loa Loa (eye worm)	hypothetical protein	0.0207	0.1298	0.203
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0369	0.2535	0.3965
Brugia malayi	nuclear receptor NHR-67	0.0162	0.0948	0.1483
Brugia malayi	Nuclear hormone receptor-like 1	0.0207	0.1298	0.203
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0207	0.1298	0.1096
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0077	0.0121
Loa Loa (eye worm)	DR-78	0.0162	0.0948	0.1483
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0369	0.2535	0.2362
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0369	0.2535	0.2362
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0369	0.2535	0.2477
Loa Loa (eye worm)	hypothetical protein	0.0207	0.1298	0.203
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0369	0.2535	0.3965
Loa Loa (eye worm)	hypothetical protein	0.0369	0.2535	0.3965
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0948	0.1483
Trichomonas vaginalis	chromobox protein, putative	0.0067	0.0227	1
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0948	0.1483
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0948	0.1483
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0369	0.2535	0.2477
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0369	0.2535	0.3965
Echinococcus multilocularis	nuclear receptor nhr 48	0.0162	0.0948	0.0738
Onchocerca volvulus	Bile acid receptor homolog	0.0873	0.6394	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0369	0.2535	0.3965
Schistosoma mansoni	hypothetical protein	0.0077	0.0297	0.0221
Loa Loa (eye worm)	hypothetical protein	0.0369	0.2535	0.3965
Brugia malayi	Nuclear hormone receptor E75	0.0162	0.0948	0.1483
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0369	0.2535	0.3965
Schistosoma mansoni	nuclear receptor	0.0162	0.0948	0.0878
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0369	0.2535	0.3965
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0369	0.2535	0.3965
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0162	0.0948	0.1483
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0977	0.1527
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0369	0.2535	0.3965
Schistosoma mansoni	hypothetical protein	0.0077	0.0297	0.0221
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0369	0.2535	0.2362
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0948	0.1483
Onchocerca volvulus		0.0048	0.0077	0.0121
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	0.5
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0369	0.2535	0.2477
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0022	0.0969
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0162	0.0948	0.0738
Brugia malayi	hypothetical protein	0.0162	0.0948	0.1483
Echinococcus multilocularis	ecdysone induced protein 78C	0.0369	0.2535	0.2362
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0077	0.0297	0.0464
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0369	0.2535	0.3965
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0207	0.1298	0.203
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0369	0.2535	0.2362
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0162	0.0948	0.1483
Loa Loa (eye worm)	steroid hormone receptor	0.084	0.6139	0.9601
Leishmania major	cathepsin L-like protease	0.0062	0.0186	0.5
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0162	0.0948	0.0738
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0162	0.0948	0.0738
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	0.5
Echinococcus multilocularis	microtubule associated protein 2	0.1344	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0369	0.2535	0.3965
Brugia malayi	nuclear receptor NHR-88	0.0162	0.0948	0.1483
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0077	0.0297	0.0464
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0369	0.2535	0.2362
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0077	0.0297	0.0071
Schistosoma mansoni	chromobox protein	0.0067	0.0227	0.0151
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0162	0.0948	0.1483
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0948	0.1483
Schistosoma mansoni	nuclear receptor	0.0162	0.0948	0.0878
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0186	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0369	0.2535	0.3965
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0207	0.1298	0.123
Brugia malayi	nuclear hormone receptor	0.0162	0.0948	0.1483
Loa Loa (eye worm)	hypothetical protein	0.0369	0.2535	0.3965
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0162	0.0948	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0207	0.1298	0.203
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0207	0.1298	0.123
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0948	0.1483
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0162	0.0948	0.0738
Echinococcus granulosus	nuclear receptor nhr 48	0.0162	0.0948	0.0738
Schistosoma mansoni	microtubule-associated protein tau	0.1344	1	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0369	0.2535	0.2477
Echinococcus multilocularis	tumor protein p63	0.0327	0.2214	0.2033
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0369	0.2535	0.2477
Echinococcus granulosus	FTZ F1 alpha	0.0369	0.2535	0.2362
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	0.5
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0057	0.0144	0.5946
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0242	0.1563	0.2444
Brugia malayi	steroid hormone receptor	0.084	0.6139	0.9601
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0369	0.2535	0.3965
Loa Loa (eye worm)	hypothetical protein	0.0207	0.1298	0.203
Brugia malayi	ecdysone receptor	0.0162	0.0948	0.1483
Loa Loa (eye worm)	hypothetical protein	0.0242	0.1563	0.2444
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0162	0.0948	0.0738
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0162	0.0948	0.1483
Loa Loa (eye worm)	hypothetical protein	0.0207	0.1298	0.203
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0369	0.2535	0.2362
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	0.5
Leishmania major	cathepsin L-like protease	0.0062	0.0186	0.5
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0948	0.1483
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0186	0.5
Brugia malayi	hypothetical protein	0.0207	0.1298	0.203
Schistosoma mansoni	retinoic acid receptor RXR	0.0369	0.2535	0.2477
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0162	0.0948	0.0738
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0369	0.2535	0.3965
Brugia malayi	Nuclear hormone receptor-like 1	0.0207	0.1298	0.203
Loa Loa (eye worm)	heterochromatin protein 1	0.0067	0.0227	0.0355
Brugia malayi	Nuclear hormone receptor E75	0.0162	0.0948	0.1483
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0369	0.2535	0.2362
Loa Loa (eye worm)	hypothetical protein	0.0369	0.2535	0.3965
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0948	0.1483
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0162	0.0948	0.0878
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0162	0.0948	0.1483
Brugia malayi	nuclear receptor RXR	0.0162	0.0948	0.1483
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0369	0.2535	0.3965
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0077	0.0297	0.0071
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0369	0.2535	0.2477
Brugia malayi	nuclear hormone receptor family member odr-7	0.0162	0.0948	0.1483
Schistosoma mansoni	nuclear receptor nhr-48	0.0162	0.0948	0.0878
Leishmania major	cathepsin L-like protease	0.0062	0.0186	0.5
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0369	0.2535	0.2362
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0162	0.0948	0.0878
Echinococcus multilocularis	FTZ F1 alpha	0.0369	0.2535	0.2362
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0186	1
Schistosoma mansoni	nuclear hormone receptor	0.0162	0.0948	0.0878
Brugia malayi	conserved hypotetical protein	0.0162	0.0948	0.1483
Onchocerca volvulus		0.0162	0.0948	0.1483
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0369	0.2535	0.3965
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0022	0.0969
Echinococcus granulosus	ecdysone induced protein 78C	0.0369	0.2535	0.2362
Schistosoma mansoni	chromobox protein	0.0067	0.0227	0.0151
Echinococcus multilocularis	GPCR, family 2	0.0077	0.0297	0.0071
Brugia malayi	tailless protein	0.0162	0.0948	0.1483
Schistosoma mansoni	thyroid hormone receptor	0.0369	0.2535	0.2477
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0369	0.2535	0.3965
Onchocerca volvulus	Protein ultraspiracle homolog	0.0369	0.2535	0.3965
Schistosoma mansoni	thyroid hormone receptor	0.0369	0.2535	0.2477
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0242	0.1563	0.2444
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0022	0.0034
Loa Loa (eye worm)	nuclear hormone receptor	0.0162	0.0948	0.1483
Brugia malayi	nuclear receptor NHR-88	0.0369	0.2535	0.3965
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0162	0.0948	0.0738
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0242	0.1563	0.2444
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0948	0.1483
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0369	0.2535	0.2362
Brugia malayi	hypothetical protein	0.0162	0.0948	0.1483
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0369	0.2535	0.2362
Brugia malayi	latrophilin 2 splice variant baaae	0.0165	0.0977	0.1527
Echinococcus granulosus	tumor protein p63	0.0327	0.2214	0.2033
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0207	0.1298	0.1096

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 615870