TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 392.795 | Formula: C20H13ClN4O3
H donors: 2 H acceptors: 4 LogP: 2.53 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc2c(c1)[nH]c1c(c2=O)c(=O)n([nH]c1=O)C(C#Cc1cccnc1)C
InChi: 1S/C20H13ClN4O3/c1-11(4-5-12-3-2-8-22-10-12)25-20(28)16-17(19(27)24-25)23-15-9-13(21)6-7-14(15)18(16)26/h2-3,6-11H,1H3,(H,23,26)(H,24,27)
InChiKey: HHASJIQLELHPOG-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
Echinococcus multilocularis	geminin	0.0201	0.5107	0.52
Schistosoma mansoni	hypothetical protein	0.0057	0.096	0.0977
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0721	0.0687
Echinococcus granulosus	importin subunit beta 1	0.0034	0.0315	0.0321
Loa Loa (eye worm)	hypothetical protein	0.0122	0.2848	0.2822
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.0557	0.0567
Entamoeba histolytica	hypothetical protein	0.0043	0.0559	0.2404
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0559	0.0569
Schistosoma mansoni	hypothetical protein	0.0122	0.2848	0.29
Brugia malayi	Bromodomain containing protein	0.0089	0.1888	0.1843
Schistosoma mansoni	ets-related	0.0261	0.6824	0.6948
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0028	0.013	0.1773
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0559	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0098	0.2147	0.2119
Echinococcus multilocularis	protein quaking	0.0031	0.0235	0.024
Echinococcus granulosus	geminin	0.0201	0.5107	0.52
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0039	0.0444	0.1857
Brugia malayi	RNA, U transporter 1	0.0097	0.2127	0.2082
Schistosoma mansoni	ran	0.0025	0.0056	0.0057
Brugia malayi	Bromodomain containing protein	0.0045	0.0638	0.0585
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.0557	0.0567
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0071	0.1367	0.1392
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0039	0.0444	1
Echinococcus multilocularis	GPCR, family 2	0.0057	0.096	0.0977
Echinococcus multilocularis	expressed protein	0.004	0.0471	0.048
Onchocerca volvulus		0.0363	0.9771	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0241	0.6257	0.637
Trypanosoma brucei	importin beta-1 subunit, putative	0.0034	0.0315	0.6682
Brugia malayi	Ets-domain containing protein	0.0086	0.18	0.1754
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0105	0.235	0.2307
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0057	0.096	0.0927
Trichomonas vaginalis	importin beta-1, putative	0.0028	0.013	0.1773
Brugia malayi	Temporarily assigned gene name protein 44	0.0031	0.0236	0.0181
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0179	0.4475	0.4444
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0105	0.235	0.2393
Brugia malayi	PHD-finger family protein	0.003	0.0182	0.0126
Echinococcus multilocularis	snurportin 1	0.0365	0.9821	1
Schistosoma mansoni	gabp alpha	0.0086	0.18	0.1833
Brugia malayi	hypothetical protein	0.0363	0.9771	0.977
Brugia malayi	hypothetical protein	0.0043	0.0559	0.0506
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0025	0.0056	0.0057
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0363	0.9772	0.9771
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1743	0.1713
Loa Loa (eye worm)	tumor suppressor	0.0371	1	1
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.0098	0.2147	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0105	0.235	0.2393
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0086	0.18	0.1771
Loa Loa (eye worm)	hypothetical protein	0.0363	0.9771	0.9771
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0039	0.0444	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0122	0.2848	0.2808
Echinococcus granulosus	protein quaking	0.0031	0.0235	0.024
Loa Loa (eye worm)	hypothetical protein	0.0046	0.064	0.0607
Echinococcus granulosus	hypothetical protein	0.0031	0.0235	0.024
Schistosoma mansoni	hypothetical protein	0.0031	0.0235	0.024
Schistosoma mansoni	hypothetical protein	0.0201	0.5107	0.52
Trypanosoma brucei	importin beta-1 subunit, putative	0.0034	0.0315	0.6682
Schistosoma mansoni	hypothetical protein	0.0201	0.5107	0.52
Echinococcus granulosus	GPCR family 2	0.0057	0.096	0.0977
Echinococcus granulosus	snurportin 1	0.0365	0.9821	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0105	0.235	0.2393
Schistosoma mansoni	hypothetical protein	0.0057	0.096	0.0977
Loa Loa (eye worm)	MH2 domain-containing protein	0.0285	0.7524	0.7515
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0105	0.235	0.2393
Schistosoma mansoni	bromodomain containing protein	0.0075	0.1489	0.1516
Schistosoma mansoni	hypothetical protein	0.0365	0.9821	1
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.004	0.0471	0.0437
Entamoeba histolytica	hypothetical protein	0.0028	0.013	0.0352
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0039	0.0444	1
Plasmodium falciparum	importin beta, putative	0.0034	0.0315	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0105	0.235	0.2393
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0105	0.235	0.2393
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0057	0.096	0.0909
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0025	0.0056	0.002
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0315	0.028
Toxoplasma gondii	HEAT repeat-containing protein	0.0034	0.0315	0.6682
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0786	0.0753
Schistosoma mansoni	hypothetical protein	0.0057	0.096	0.0977
Plasmodium vivax	importin-beta 2, putative	0.0034	0.0315	1
Brugia malayi	MH2 domain containing protein	0.0285	0.7524	0.751
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0105	0.235	0.2393
Brugia malayi	Ets-domain containing protein	0.0086	0.18	0.1754
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0057	0.096	0.0977
Trichomonas vaginalis	rotamase, putative	0.0039	0.0444	0.9354
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0236	0.02
Toxoplasma gondii	peptidylprolyl isomerase	0.0039	0.0444	1
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0025	0.0056	0.0057
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0101	0.0103
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0071	0.1367	0.1392
Echinococcus granulosus	expressed protein	0.004	0.0471	0.048
Loa Loa (eye worm)	fli-1 protein	0.0261	0.6824	0.6813
Trichomonas vaginalis	rotamase, putative	0.004	0.0471	1
Echinococcus multilocularis	GA binding protein alpha chain	0.0086	0.18	0.1833
Loa Loa (eye worm)	hypothetical protein	0.0363	0.9772	0.9771
Schistosoma mansoni	rotamase	0.004	0.0471	0.048
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0039	0.0444	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0101	0.0103
Schistosoma mansoni	importin beta-1	0.0034	0.0315	0.0321
Entamoeba histolytica	hypothetical protein	0.0043	0.0559	0.2404
Entamoeba histolytica	Acid sphingomyelinase-like phosphodiesterase, putative	0.0098	0.2147	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0559	0.2404
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0028	0.013	0.1773
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1443	0.1412
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0179	0.4475	0.4455
Schistosoma mansoni	ran	0.0025	0.0056	0.0057
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0471	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0365	0.9821	0.9821
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0025	0.0056	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0057	0.096	0.0977
Loa Loa (eye worm)	transcription factor SMAD2	0.0285	0.7524	0.7515
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0105	0.235	0.2323
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0559	0.0569
Entamoeba histolytica	hypothetical protein	0.0043	0.0559	0.2404
Schistosoma mansoni	hypothetical protein	0.0043	0.0559	0.0569
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.004	0.0471	0.0417
Schistosoma mansoni	hypothetical protein	0.0057	0.096	0.0977
Schistosoma mansoni	hypothetical protein	0.0031	0.0235	0.024
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0101	0.0103
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0028	0.013	0.1895
Echinococcus multilocularis	importin subunit beta 1	0.0034	0.0315	0.0321
Schistosoma mansoni	hypothetical protein	0.0024	0.0036	0.0037
Brugia malayi	Fli-1 protein	0.0261	0.6824	0.6806
Echinococcus granulosus	GA binding protein alpha chain	0.0086	0.18	0.1833
Brugia malayi	Importin beta-1 subunit	0.0034	0.0315	0.0261
Leishmania major	importin beta-1 subunit, putative	0.0028	0.013	0.1895
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0241	0.6257	0.637
Brugia malayi	hypothetical protein	0.0031	0.0236	0.0181
Brugia malayi	Latrophilin receptor protein 2	0.0057	0.096	0.0909
Loa Loa (eye worm)	hypothetical protein	0.0057	0.096	0.0927

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

ChEMBL: CHEMBL1199963

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1162631