TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 350.76 | Formula: C14H15ClN6O3
H donors: 4 H acceptors: 4 LogP: 2.15 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O/N=C(/c1nc(Cl)c(nc1N)NCC(=O)OCc1ccccc1)\N
InChi: 1S/C14H15ClN6O3/c15-11-14(20-12(16)10(19-11)13(17)21-23)18-6-9(22)24-7-8-4-2-1-3-5-8/h1-5,23H,6-7H2,(H2,17,21)(H3,16,18,20)
InChiKey: NYQTVUSRXPGHPA-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	acetyltransferase, GNAT family protein	0.0168	0.1454	0.1454
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0361	0.3397	0.3397
Plasmodium vivax	ataxin-2 like protein, putative	0.0029	0.0047	0.0047
Leishmania major	importin beta-1 subunit, putative	0.0027	0.0025	0.0075
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0361	0.3397	1
Loa Loa (eye worm)	hypothetical protein	0.0361	0.3397	0.3397
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.005	0.0251	0.0251
Schistosoma mansoni	hypothetical protein	0.1014	1	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0147	0.0147
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0361	0.3397	0.3397
Onchocerca volvulus		0.011	0.0858	0.0564
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0311	0.0311
Onchocerca volvulus		0.0361	0.3397	0.3185
Echinococcus granulosus	neutral alpha glucosidase AB	0.0042	0.0175	0.0175
Echinococcus granulosus	importin subunit beta 1	0.0034	0.0089	0.0089
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.1014	1	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0034	0.0089	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0361	0.3397	0.3397
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0055	0.0311	0.0311
Plasmodium falciparum	histone acetyltransferase GCN5	0.0045	0.021	0.021
Trichomonas vaginalis	conserved hypothetical protein	0.1014	1	1
Schistosoma mansoni	hypothetical protein	0.0039	0.0147	0.0147
Echinococcus multilocularis	snurportin 1	0.0358	0.3368	0.3368
Trypanosoma brucei	glucosidase, putative	0.0042	0.0175	0.0517
Loa Loa (eye worm)	MBCTL1	0.0063	0.0389	0.0389
Entamoeba histolytica	hypothetical protein	0.0042	0.0173	0.8266
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0361	0.3397	0.3397
Onchocerca volvulus		0.0361	0.3397	0.3185
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.1014	1	1
Brugia malayi	Importin beta-1 subunit	0.0034	0.0089	0.0089
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0042	0.0175	0.0175
Schistosoma mansoni	fusion	0.0361	0.3397	0.3397
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0047	0.0138
Trichomonas vaginalis	alpha-glucosidase, putative	0.0042	0.0175	0.0175
Trypanosoma brucei	hypothetical protein, conserved	0.0361	0.3397	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0029	0.0047	0.0047
Loa Loa (eye worm)	brahma associated protein	0.1014	1	1
Onchocerca volvulus		0.0361	0.3397	0.3185
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0175	0.0517
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0288	0.0288
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0361	0.3397	1
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0063	0.0389	0.0389
Echinococcus granulosus	SWI:SNF matrix associated	0.1014	1	1
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0361	0.3397	0.3185
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0358	0.3368	0.3368
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0047	0.0047
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0361	0.3397	1
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0361	0.3397	0.3397
Echinococcus granulosus	Zinc finger RanBP2 type	0.0361	0.3397	0.3397
Schistosoma mansoni	hypothetical protein	0.0341	0.3203	0.3203
Loa Loa (eye worm)	hypothetical protein	0.0361	0.3397	0.3397
Schistosoma mansoni	hypothetical protein	0.0358	0.3368	0.3368
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0168	0.1454	0.1454
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0288	0.0288
Brugia malayi	mbt repeat family protein	0.0055	0.0311	0.0311
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0063	0.0389	0.0389
Trypanosoma brucei	hypothetical protein, conserved	0.0361	0.3397	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0042	0.0175	0.0175
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0063	0.0389	0.0389
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0042	0.0175	0.8364
Schistosoma mansoni	hypothetical protein	0.0361	0.3397	0.3397
Brugia malayi	hypothetical protein	0.0042	0.0173	0.0173
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.1014	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0089	0.0089
Leishmania major	hypothetical protein, conserved	0.0361	0.3397	1
Leishmania major	alpha glucosidase II subunit, putative	0.0042	0.0175	0.0517
Echinococcus granulosus	lysosomal alpha glucosidase	0.0189	0.1665	0.1665
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0361	0.3397	0.3397
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0361	0.3397	0.3397
Schistosoma mansoni	alpha-glucosidase	0.0163	0.1399	0.1399
Schistosoma mansoni	brg-1 associated factor	0.1014	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.0147	0.0147
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0361	0.3397	0.3397
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0042	0.0175	0.0175
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.1014	1	1
Schistosoma mansoni	hypothetical protein	0.1014	1	1
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0063	0.0389	0.0389
Echinococcus multilocularis	importin subunit beta 1	0.0034	0.0089	0.0089
Brugia malayi	YY1-associated factor 2	0.0361	0.3397	0.3397
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0057	0.033	0.033
Trichomonas vaginalis	alpha-glucosidase, putative	0.0042	0.0175	0.0175
Trichomonas vaginalis	importin beta-1, putative	0.0027	0.0025	0.0025
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0042	0.0175	0.0175
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.0288	0.0288
Loa Loa (eye worm)	hypothetical protein	0.0361	0.3397	0.3397
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0189	0.1665	0.1665
Echinococcus granulosus	histone acetyltransferase KAT2B	0.005	0.0251	0.0251
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0042	0.0175	0.0175
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0173	0.0173
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0361	0.3397	0.3397
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.1014	1	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0025	0.0025
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0027	0.0025	0.0075
Trypanosoma cruzi	hypothetical protein, conserved	0.0361	0.3397	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0361	0.3397	1
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0223	0.2004	0.2004
Trypanosoma brucei	PAB1-binding protein , putative	0.0029	0.0047	0.0138
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0189	0.1665	0.1665
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0361	0.3397	0.3397
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0042	0.0175	0.0175
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0025	0.0025
Schistosoma mansoni	hypothetical protein	0.0042	0.0173	0.0173
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0288	0.0288
Trichomonas vaginalis	alpha-glucosidase, putative	0.0042	0.0175	0.0175
Loa Loa (eye worm)	mbt repeat family protein	0.0055	0.0311	0.0311
Leishmania major	hypothetical protein, conserved	0.0361	0.3397	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.005	0.0251	0.0251
Entamoeba histolytica	acetyltransferase, GNAT family	0.0045	0.021	1
Entamoeba histolytica	hypothetical protein	0.0042	0.0173	0.8266
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0173	0.0173
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.0288	0.0288
Brugia malayi	mbt repeat family protein	0.0055	0.0311	0.0311
Trypanosoma cruzi	hypothetical protein, conserved	0.0361	0.3397	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0042	0.0175	0.0175
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0042	0.0175	0.0175
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0168	0.1454	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0047	0.0047
Onchocerca volvulus		0.1014	1	1
Leishmania major	hypothetical protein, conserved	0.0361	0.3397	1
Chlamydia trachomatis	DNA topoisomerase I	0.1014	1	0.5
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0042	0.0175	0.8364
Brugia malayi	hypothetical protein	0.0029	0.0047	0.0047
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0189	0.1665	0.1665
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0389	0.0389
Schistosoma mansoni	RNA binding protein	0.0361	0.3397	0.3397
Echinococcus multilocularis	SWI:SNF matrix associated	0.1014	1	1
Echinococcus granulosus	histone acetyltransferase MYST2	0.0063	0.0389	0.0389
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0361	0.3397	1
Echinococcus granulosus	polycomb protein SCMH1	0.0055	0.0311	0.0311
Echinococcus multilocularis	SWI:SNF matrix associated	0.1014	1	1
Chlamydia trachomatis	SWIB complex protein	0.1014	1	0.5
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0189	0.1665	0.1665
Schistosoma mansoni	alpha-glucosidase	0.0163	0.1399	0.1399
Leishmania major	hypothetical protein, conserved	0.0361	0.3397	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0047	0.0047
Schistosoma mansoni	zinc finger protein	0.0361	0.3397	0.3397
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0057	0.033	0.033
Toxoplasma gondii	ran binding protein	0.0361	0.3397	0.3397
Echinococcus multilocularis	zinc finger protein Ran binding	0.0361	0.3397	0.3397
Schistosoma mansoni	sex comb on midleg homolog	0.0055	0.0311	0.0311
Schistosoma mansoni	TRABID protein (C64 family)	0.0361	0.3397	0.3397
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.1014	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0175	0.0517
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0223	0.2004	0.2004
Echinococcus granulosus	zinc finger protein Ran binding	0.0361	0.3397	0.3397
Echinococcus granulosus	snurportin 1	0.0358	0.3368	0.3368
Schistosoma mansoni	alpha glucosidase	0.0042	0.0175	0.0175
Trypanosoma cruzi	WLM domain containing protein, putative	0.0361	0.3397	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.005	0.0251	0.0251
Entamoeba histolytica	hypothetical protein	0.0027	0.0025	0.121
Trichomonas vaginalis	bromodomain-containing protein, putative	0.005	0.0251	0.0251
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0288	0.0288
Onchocerca volvulus		0.0361	0.3397	0.3185
Echinococcus multilocularis	polycomb protein SCMH1	0.0055	0.0311	0.0311
Trypanosoma brucei	importin beta-1 subunit, putative	0.0034	0.0089	0.0263
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0361	0.3397	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0042	0.0175	0.0175
Schistosoma mansoni	sex comb on midleg homolog	0.0055	0.0311	0.0311
Brugia malayi	SWIB/MDM2 domain containing protein	0.1014	1	1
Brugia malayi	brahma associated protein 60 kDa	0.1014	1	1
Brugia malayi	RNA, U transporter 1	0.0095	0.0714	0.0714
Plasmodium vivax	hypothetical protein, conserved	0.1014	1	1
Echinococcus granulosus	ring and YY1 binding protein	0.0361	0.3397	0.3397
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0057	0.033	0.033
Leishmania major	hypothetical protein, conserved	0.0029	0.0047	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0361	0.3397	0.3397
Leishmania major	hypothetical protein, conserved	0.0361	0.3397	1
Entamoeba histolytica	hypothetical protein	0.0042	0.0173	0.8266
Trypanosoma cruzi	WLM domain containing protein, putative	0.0361	0.3397	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0047	0.0138
Plasmodium vivax	importin-beta 2, putative	0.0034	0.0089	0.0089
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.1014	1	1
Echinococcus granulosus	SAM and MBT domain containing protein	0.0055	0.0311	0.0311
Loa Loa (eye worm)	acetyltransferase	0.0168	0.1454	0.1454
Entamoeba histolytica	hypothetical protein	0.0042	0.0173	0.8266
Trichomonas vaginalis	alpha-glucosidase, putative	0.0042	0.0175	0.0175
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0055	0.0311	0.0311
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0164	0.1406	0.1406
Loa Loa (eye worm)	hypothetical protein	0.0057	0.033	0.033
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0361	0.3397	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.1014	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0288	0.0288
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0288	0.0288
Schistosoma mansoni	importin beta-1	0.0034	0.0089	0.0089
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0063	0.0389	0.0389
Giardia lamblia	Histone acetyltransferase GCN5	0.0045	0.021	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0034	0.0089	0.0089
Schistosoma mansoni	hypothetical protein	0.1014	1	1
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.1014	1	1
Plasmodium falciparum	importin beta, putative	0.0034	0.0089	0.0089
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0288	0.0288
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0173	0.0173
Echinococcus multilocularis	ring and YY1 binding protein	0.0361	0.3397	0.3397
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0361	0.3397	1
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.005	0.0251	0.0251

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 74 uM	Inhibition of urokinase-type plasminogen activator using Glt-Gly-Arg-AMC as substrate by spectrofluorometry	ChEMBL.	22366654
IC50 (binding)	= 200 uM	Inhibition of tPA using CH3SO2-D-HHT-Gly-Arg-pNA as substrate by spectrofluorometry	ChEMBL.	22366654
IC50 (binding)	> 250 uM	Inhibition of plasmin using tosyl-Gly-Pro-Lys-pNA as substrate by spectrofluorometry	ChEMBL.	22366654

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: CHEMBL2013178

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 1637150