TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 449.842 | Formula: C20H20ClN3O7
H donors: 5 H acceptors: 8 LogP: 0.87 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1C[C@@H]1Cc3c(Cl)ncc(c3C(=O)C1=C2O)O)O)O)C
InChi: 1S/C20H20ClN3O7/c1-24(2)13-8-4-6-3-7-11(9(25)5-23-18(7)21)14(26)10(6)16(28)20(8,31)17(29)12(15(13)27)19(22)30/h5-6,8,13,25,27-28,31H,3-4H2,1-2H3,(H2,22,30)/t6-,8-,13-,20-/m0/s1
InChiKey: NIGRMMFFCAPFEH-YYFXRHHDSA-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	Cathepsin L-like precursor	0.0086	0.7348	0.7348
Loa Loa (eye worm)	hypothetical protein	0.0084	0.7079	0.7079
Leishmania major	cathepsin L-like protease	0.0086	0.7348	0.7315
Plasmodium vivax	vivapain-2	0.0086	0.7348	1
Loa Loa (eye worm)	ctsf protein	0.0086	0.7348	0.7348
Leishmania major	cathepsin L-like protease	0.0086	0.7348	0.7315
Brugia malayi	Papain family cysteine protease containing protein	0.0045	0.2432	0.2432
Schistosoma mansoni	serine/threonine protein kinase	0.0096	0.8423	0.8423
Echinococcus granulosus	cathepsin L	0.0045	0.2432	0.2888
Brugia malayi	Cathepsin L-like precursor	0.0058	0.3996	0.3996
Loa Loa (eye worm)	hypothetical protein	0.0086	0.7348	0.7348
Brugia malayi	serine/threonine-protein kinase plk-2	0.0096	0.8423	0.8423
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.8423	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0086	0.7348	0.7348
Echinococcus multilocularis	cathepsin L cysteine protease	0.0086	0.7348	0.8723
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.4418	1
Trypanosoma cruzi	cysteine protease, putative	0.0045	0.2432	0.238
Entamoeba histolytica	cysteine protease, putative	0.0086	0.7348	0.8205
Trypanosoma cruzi	cysteine peptidase, putative	0.0086	0.7348	0.8632
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0086	0.7348	0.7348
Plasmodium vivax	vivapain-2	0.0086	0.7348	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0086	0.7348	0.8723
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.4418	0.5245
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0084	0.7079	0.7079
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.8423	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0086	0.7348	1
Onchocerca volvulus	Cathepsin L homolog	0.0086	0.7348	0.7348
Echinococcus granulosus	L aminoadipate semialdehyde	0.0084	0.7079	0.8405
Trypanosoma brucei	polo-like protein kinase	0.0096	0.8423	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0086	0.7348	0.8723
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0086	0.7348	0.8205
Trypanosoma cruzi	cysteine proteinase, putative	0.0045	0.2432	0.238
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0086	0.7348	0.8205
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0086	0.7348	0.8205
Entamoeba histolytica	cysteine proteinase, putative	0.0058	0.3996	0.2611
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0562	0.0562
Brugia malayi	Cathepsin L-like precursor	0.0086	0.7348	0.7348
Echinococcus multilocularis	cathepsin L	0.0045	0.2432	0.2888
Trypanosoma cruzi	cysteine peptidase, putative	0.0086	0.7348	0.8632
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.8423	1
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0084	0.7079	0.8405
Onchocerca volvulus		0.0086	0.7348	0.7348
Brugia malayi	cathepsin L-like precursor	0.0058	0.3996	0.3996
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.4418	0.4418
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.8423	1
Onchocerca volvulus		0.0084	0.7079	0.7079
Brugia malayi	Cathepsin L-like precursor	0.0086	0.7348	0.7348
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0086	0.7348	0.8205
Toxoplasma gondii	cathepsin CPL	0.0086	0.7348	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0086	0.7348	0.8723
Trichomonas vaginalis	CAMK family protein kinase	0.0047	0.2761	0.0548
Onchocerca volvulus		0.0058	0.3996	0.3996
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0086	0.7348	0.8205
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0045	0.2432	0.2432
Leishmania major	cathepsin L-like protease	0.0086	0.7348	0.7315
Schistosoma mansoni	cathepsin F (C01 family)	0.0058	0.3996	0.3996
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.8423	1
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.8423	1
Leishmania major	cathepsin L-like protease	0.0086	0.7348	0.7315
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0086	0.7348	0.8205
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0086	0.7348	0.8205
Echinococcus granulosus	cathepsin l1	0.0086	0.7348	0.8723
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0096	0.8423	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0086	0.7348	0.8632
Schistosoma mansoni	cathepsin F (C01 family)	0.0086	0.7348	0.7348
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0045	0.2432	0.2432
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0562	0.0562
Onchocerca volvulus	Cathepsin F homolog	0.0086	0.7348	0.7348
Echinococcus granulosus	cysteine protease	0.0045	0.2432	0.2888
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0029	0.0562	0.0562
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0086	0.7348	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0086	0.7348	0.8205
Schistosoma mansoni	kinase	0.0049	0.2909	0.2909
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.3996	0.2611
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0086	0.7348	0.8205
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0086	0.7348	0.8205
Trichomonas vaginalis	CAMK family protein kinase	0.0047	0.2761	0.0548
Brugia malayi	Cathepsin L-like precursor	0.0086	0.7348	0.7348
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0086	0.7348	0.8205
Giardia lamblia	Kinase, PLK	0.0096	0.8423	0.5
Leishmania major	cathepsin L-like protease	0.0086	0.7348	0.7315
Brugia malayi	Papain family cysteine protease containing protein	0.0086	0.7348	0.7348
Leishmania major	cathepsin L-like protease	0.0086	0.7348	0.7315
Entamoeba histolytica	cysteine proteinase, putative	0.0086	0.7348	0.8205
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0086	0.7348	0.8723
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.4418	0.5245
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0086	0.7348	0.8205
Onchocerca volvulus		0.0086	0.7348	0.7348
Trichomonas vaginalis	CAMK family protein kinase	0.0096	0.8423	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0045	0.2432	0.2432
Trypanosoma cruzi	cysteine proteinase, putative	0.0045	0.2432	0.238
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0096	0.8423	1
Brugia malayi	Cathepsin L-like precursor	0.0086	0.7348	0.7348
Brugia malayi	Cathepsin L-like precursor	0.0086	0.7348	0.7348
Trypanosoma cruzi	cysteine peptidase, putative	0.0045	0.2432	0.238
Brugia malayi	Cathepsin L-like precursor	0.0029	0.0562	0.0562
Loa Loa (eye worm)	cysteine protease	0.0086	0.7348	0.7348
Echinococcus multilocularis	cysteine protease	0.0086	0.7348	0.8723
Onchocerca volvulus		0.0086	0.7348	0.7348
Plasmodium vivax	vivapain-1	0.0045	0.2432	0.2757
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0086	0.7348	0.8205
Echinococcus multilocularis	cysteine protease	0.0086	0.7348	0.8723
Schistosoma mansoni	cathepsin F (C01 family)	0.0086	0.7348	0.7348
Loa Loa (eye worm)	hypothetical protein	0.0058	0.3996	0.3996
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0029	0.0562	0.0562
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0086	0.7348	0.8205
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0096	0.8423	0.8423
Plasmodium vivax	vivapain-3	0.0045	0.2432	0.2757
Onchocerca volvulus		0.0086	0.7348	0.7348
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0086	0.7348	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0086	0.7348	0.8205
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0086	0.7348	0.8205
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0086	0.7348	0.8205
Leishmania major	cysteine peptidase A (CPA)	0.0086	0.7348	0.7315
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0086	0.7348	0.8205
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.4418	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0086	0.7348	0.8205
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0086	0.7348	0.8205
Echinococcus granulosus	cathepsin L cysteine protease	0.0045	0.2432	0.2888
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0086	0.7348	0.8205
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0086	0.7348	0.8205
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.4418	0.4418
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0086	0.7348	0.8205
Onchocerca volvulus		0.0086	0.7348	0.7348
Brugia malayi	Cathepsin L-like precursor	0.0058	0.3996	0.3996
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0096	0.8423	1
Echinococcus granulosus	cathepsin l1	0.0058	0.3996	0.4745
Onchocerca volvulus		0.0085	0.7211	0.7211
Onchocerca volvulus		0.0086	0.7348	0.7348
Plasmodium vivax	unspecified product	0.0045	0.2432	0.2757
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0045	0.2432	0.238
Leishmania major	cathepsin L-like protease	0.0086	0.7348	0.7315
Loa Loa (eye worm)	hypothetical protein	0.0058	0.3996	0.3996
Trypanosoma cruzi	polo-like protein kinase, putative	0.0096	0.8423	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0086	0.7348	0.8632
Schistosoma mansoni	cathepsin s	0.0029	0.0562	0.0562
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0086	0.7348	0.8205
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.4418	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0086	0.7348	0.8205
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0058	0.3996	0.3996
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0086	0.7348	0.8205
Trypanosoma cruzi	cysteine peptidase, putative	0.0086	0.7348	0.8632
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.3996	0.2611
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0086	0.7348	0.8205
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0086	0.7348	0.8205
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0096	0.8423	1
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0084	0.7079	0.7079
Brugia malayi	cathepsin F-like cysteine proteinase	0.0029	0.0562	0.0562
Entamoeba histolytica	cysteine proteinase, putative	0.0086	0.7348	0.8205
Brugia malayi	Papain family cysteine protease containing protein	0.0045	0.2432	0.2432
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0086	0.7348	0.8205
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0058	0.3996	0.4369
Onchocerca volvulus	Cathepsin L homolog	0.0086	0.7348	0.7348
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0086	0.7348	0.8205
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0086	0.7348	0.8205
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0096	0.8423	0.8423
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0086	0.7348	0.8205
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0086	0.7348	0.8205
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0086	0.7348	0.8205
Onchocerca volvulus		0.0086	0.7348	0.7348
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0086	0.7348	0.8205
Loa Loa (eye worm)	hypothetical protein	0.0058	0.3996	0.3996
Trypanosoma cruzi	polo-like protein kinase, putative	0.0096	0.8423	1
Leishmania major	cathepsin L-like protease	0.0086	0.7348	0.7315
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0086	0.7348	0.8723
Loa Loa (eye worm)	fibroinase	0.0086	0.7348	0.7348
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0562	0.0562
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0061	0.4418	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0086	0.7348	0.8205

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: CHEMBL1739715

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1512650