TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 353.849 | Formula: C19H20ClN5
H donors: 1 H acceptors: 2 LogP: 2.26 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CN(Cc1nnc2n1c1ccc(cc1C(NC2)c1ccccc1)Cl)C
InChi: 1S/C19H20ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10,19,21H,11-12H2,1-2H3
InChiKey: JYWGTDFHZDSBJH-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
Brugia malayi	RNA binding protein	0.0063	0.0229	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0515	0.0546
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.044	0.5076	0.6221
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0085	0.0515	0.0631
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0229	0.0281
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0085	0.0515	0.0546
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0085	0.0515	0.0631
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0085	0.0515	0.0631
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0085	0.0515	0.0631
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0085	0.0515	0.0546
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0085	0.0515	0.0631
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0466	0.5408	0.6628
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0515	0.0546
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0288	0.3123	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0085	0.0515	0.0631
Schistosoma mansoni	coup transcription factor	0.0085	0.0515	0.0631
Schistosoma mansoni	thyroid hormone receptor	0.0085	0.0515	0.0631
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0085	0.0515	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0515	0.0546
Schistosoma mansoni	RAR-like nuclear receptor	0.0085	0.0515	0.0631
Giardia lamblia	Fructose-bisphosphate aldolase	0.0288	0.3123	0.5
Schistosoma mansoni	microtubule-associated protein tau	0.068	0.8159	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0545	0.6417	1
Brugia malayi	Steroid receptor seven-up type 2	0.0085	0.0515	0.0546
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0085	0.0515	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0515	0.0546
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0085	0.0515	0.0631
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3123	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0085	0.0515	0.0546
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0085	0.0515	0.0546
Echinococcus multilocularis	FTZ F1 alpha	0.0085	0.0515	0.0631
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0085	0.0515	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0515	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0515	0.0546
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0085	0.0515	0.0546
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0229	0.0281
Treponema pallidum	fructose-bisphosphate aldolase	0.0288	0.3123	0.5
Echinococcus granulosus	microtubule associated protein 2	0.068	0.8159	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0085	0.0515	0.0546
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0085	0.0515	0.0546
Brugia malayi	ecdysteroid receptor	0.0085	0.0515	0.0546
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0141	0.1231	0.5
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0229	0.0243
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0085	0.0515	0.0631
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0085	0.0515	0.0631
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0085	0.0515	0.0546
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3123	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0288	0.3123	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0085	0.0515	0.0631
Brugia malayi	steroid hormone receptor	0.0085	0.0515	0.0546
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0229	0.0281
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0085	0.0515	0.0546
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0085	0.0515	0.0546
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0085	0.0515	0.0631
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0229	0.0281
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0085	0.0515	0.0546
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0085	0.0515	0.0546
Brugia malayi	nuclear receptor NHR-88	0.0085	0.0515	0.0546
Schistosoma mansoni	retinoic acid receptor RXR	0.0466	0.5408	0.6628
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3123	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0085	0.0515	0.0631
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0085	0.0515	0.0546
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0085	0.0515	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0515	0.0546
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0085	0.0515	0.0546
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0085	0.0515	0.0631
Echinococcus granulosus	FTZ F1 alpha	0.0085	0.0515	0.0631
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3123	1
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0229	0.0281
Echinococcus multilocularis	microtubule associated protein 2	0.068	0.8159	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0779	0.9424	1
Loa Loa (eye worm)	hypothetical protein	0.0739	0.8909	0.9454
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0085	0.0515	0.0546
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0085	0.0515	0.0631
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0229	0.0243
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0085	0.0515	0.0631
Brugia malayi	nuclear hormone receptor	0.0779	0.9424	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0085	0.0515	0.0546
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0229	0.0243
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0205	0.2058	0.2184
Echinococcus granulosus	ecdysone induced protein 78C	0.0085	0.0515	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0515	0.0546
Brugia malayi	Nuclear hormone receptor-like 1	0.0085	0.0515	0.0546
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3123	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0085	0.0515	0.0631
Mycobacterium tuberculosis	Probable oxidoreductase	0.0545	0.6417	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0085	0.0515	0.0631
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0085	0.0515	0.0546
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3123	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0229	0.0281
Brugia malayi	Pre-SET motif family protein	0.0205	0.2058	0.2184
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0229	0.0243
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0085	0.0515	0.0546
Brugia malayi	TAR-binding protein	0.0063	0.0229	0.0243
Echinococcus multilocularis	ecdysone induced protein 78C	0.0085	0.0515	0.0631
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0229	0.0281
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3123	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0085	0.0515	0.0546
Schistosoma mansoni	nuclear hormone receptor	0.0085	0.0515	0.0631
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0085	0.0515	0.0546
Brugia malayi	nuclear hormone receptor	0.0085	0.0515	0.0546
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0421	0.4832	0.5921
Loa Loa (eye worm)	steroid hormone receptor	0.0085	0.0515	0.0546
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0085	0.0515	0.0546
Onchocerca volvulus		0.0234	0.2422	0.2011
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3123	1

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 5.3 mg kg-1	Tested for potentiation of gamma-butyrolactone induced sleep (gamma-B) in mice	ChEMBL.	6103958
ED50 (functional)	= 5.3 mg kg-1	Tested for potentiation of gamma-butyrolactone induced sleep (gamma-B) in mice	ChEMBL.	6103958
ED50 (functional)	= 14.9 mg kg-1	Tested for antagonism of pentylenetetrazole-induced clonic convulsions (P) in mice	ChEMBL.	6103958
ED50 (functional)	= 14.9 mg kg-1	Tested for antagonism of pentylenetetrazole-induced clonic convulsions (P) in mice	ChEMBL.	6103958
ED50 (functional)	= 25 mg kg-1	Tested for antagonism of nicotine-induced tonic extensor convulsions (TE) in mice	ChEMBL.	6103958
ED50 (functional)	= 25 mg kg-1	Tested for antagonism of nicotine-induced death (D) in mice	ChEMBL.	6103958
ED50 (functional)	= 25 mg kg-1	Tested for antagonism of nicotine-induced tonic extensor convulsions (TE) in mice	ChEMBL.	6103958
ED50 (functional)	= 25 mg kg-1	Tested for antagonism of nicotine-induced death (D) in mice	ChEMBL.	6103958
ED50 (functional)	= 42 mg kg-1	Tested for antagonism of bicuculline-induced tonic-extensor convulsions (B) in mice	ChEMBL.	6103958
ED50 (functional)	= 42 mg kg-1	Tested for antagonism of bicuculline-induced tonic-extensor convulsions (B) in mice	ChEMBL.	6103958
ED50 (functional)	> 50 mg kg-1	Prolongation of hypoxic survival time (HS) in mice	ChEMBL.	6103958
ED50 (functional)	> 50 mg kg-1	Tested for stereotyped gnawing and licking behavior of mice pretreated with apomorphine (AG)	ChEMBL.	6103958
ED50 (functional)	> 50 mg kg-1	Tested for antagonism of oxotremorine hypothermia (OX) in mice	ChEMBL.	6103958
ED50 (functional)	> 50 mg kg-1	Tested for potentiation of yohimbine toxicity in aggregated mice(Y)	ChEMBL.	6103958
ED50 (functional)	> 50 mg kg-1	Prolongation of hypoxic survival time (HS) in mice	ChEMBL.	6103958
ED50 (functional)	> 50 mg kg-1	Tested for stereotyped gnawing and licking behavior of mice pretreated with apomorphine (AG)	ChEMBL.	6103958
ED50 (functional)	> 50 mg kg-1	Tested for antagonism of oxotremorine hypothermia (OX) in mice	ChEMBL.	6103958
ED50 (functional)	> 50 mg kg-1	Tested for potentiation of yohimbine toxicity in aggregated mice(Y)	ChEMBL.	6103958

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: CHEMBL130207

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 227180