TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 304.728 | Formula: C15H13ClN2O3
H donors: 2 H acceptors: 2 LogP: 2.97 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)NC(=O)C(=O)Nc1ccc(cc1)Cl
InChi: 1S/C15H13ClN2O3/c1-21-13-4-2-3-12(9-13)18-15(20)14(19)17-11-7-5-10(16)6-8-11/h2-9H,1H3,(H,17,19)(H,18,20)
InChiKey: KRTNVLDJKJQHPH-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
Entamoeba histolytica	cysteine proteinase 1, putative	0.0355	0.3858	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0668	0.7555	0.7178
Brugia malayi	Cathepsin L-like precursor	0.0668	0.7555	0.7555
Entamoeba histolytica	cysteine protease, putative	0.0668	0.7555	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0213	0.2183	0.0976
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0668	0.7555	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0668	0.7555	1
Toxoplasma gondii	cathepsin B	0.0368	0.4016	0.4309
Brugia malayi	Papain family cysteine protease containing protein	0.0355	0.3858	0.3858
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0668	0.7555	1
Onchocerca volvulus		0.0668	0.7555	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0668	0.7555	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0455	0.5034	0.4268
Entamoeba histolytica	cysteine proteinase, putative	0.0355	0.3858	0.4054
Leishmania major	cathepsin L-like protease	0.0668	0.7555	1
Loa Loa (eye worm)	hypothetical protein	0.0213	0.2183	0.2183
Brugia malayi	Cathepsin L-like precursor	0.0668	0.7555	0.7555
Loa Loa (eye worm)	hypothetical protein	0.0213	0.2183	0.2183
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0368	0.4016	0.3093
Trypanosoma cruzi	cysteine peptidase, putative	0.0668	0.7555	0.7178
Echinococcus granulosus	cysteine protease	0.0355	0.3858	0.291
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0355	0.3858	0.291
Onchocerca volvulus		0.0668	0.7555	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0668	0.7555	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0142	0.1337	0.1337
Loa Loa (eye worm)	hypothetical protein	0.0142	0.1337	0.1337
Plasmodium vivax	unspecified product	0.0355	0.3858	0.4054
Echinococcus multilocularis	cathepsin b	0.0875	1	1
Echinococcus multilocularis	cysteine protease	0.0668	0.7555	0.7178
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0668	0.7555	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0368	0.4016	0.4309
Entamoeba histolytica	cysteine protease, putative	0.0355	0.3858	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0355	0.3858	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0668	0.7555	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0875	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0668	0.7555	1
Echinococcus multilocularis	cathepsin b	0.0875	1	1
Brugia malayi	Cathepsin L-like precursor	0.0668	0.7555	0.7555
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0668	0.7555	1
Onchocerca volvulus		0.0668	0.7555	1
Brugia malayi	Cathepsin L-like precursor	0.0668	0.7555	0.7555
Echinococcus granulosus	cathepsin l1	0.0668	0.7555	0.7178
Onchocerca volvulus	Cathepsin L homolog	0.0668	0.7555	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0668	0.7555	1
Leishmania major	cathepsin L-like protease	0.0668	0.7555	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0668	0.7555	1
Leishmania major	cathepsin L-like protease	0.0668	0.7555	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0668	0.7555	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0668	0.7555	1
Loa Loa (eye worm)	hypothetical protein	0.0142	0.1337	0.1337
Loa Loa (eye worm)	hypothetical protein	0.0875	1	1
Onchocerca volvulus	Cathepsin F homolog	0.0668	0.7555	1
Giardia lamblia	Cathepsin B precursor	0.0368	0.4016	1
Onchocerca volvulus	Cathepsin L homolog	0.0668	0.7555	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0668	0.7555	0.7555
Brugia malayi	cathepsin L-like precursor	0.0455	0.5034	0.5034
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0355	0.3858	0.4054
Schistosoma mansoni	cathepsin F (C01 family)	0.0668	0.7555	0.7178
Entamoeba histolytica	cysteine protease, putative	0.0355	0.3858	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0668	0.7555	1
Entamoeba histolytica	cysteine proteinase, putative	0.0355	0.3858	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0455	0.5034	0.5034
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0668	0.7555	0.7178
Entamoeba histolytica	cysteine protease, putative	0.0355	0.3858	0.4054
Loa Loa (eye worm)	cysteine protease	0.0668	0.7555	0.7555
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0668	0.7555	1
Plasmodium vivax	unspecified product	0.0213	0.2183	0.136
Brugia malayi	Cathepsin L-like precursor	0.0668	0.7555	0.7555
Echinococcus multilocularis	cathepsin L cysteine protease	0.0668	0.7555	0.7178
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0668	0.7555	1
Leishmania major	cathepsin L-like protease	0.0668	0.7555	1
Entamoeba histolytica	cysteine protease, putative	0.0355	0.3858	0.4054
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0668	0.7555	0.7178
Echinococcus multilocularis	cathepsin L	0.0355	0.3858	0.291
Brugia malayi	cathepsin L precursor	0.0142	0.1337	0.1337
Loa Loa (eye worm)	hypothetical protein	0.0668	0.7555	0.7555
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0142	0.1337	0.1337
Trypanosoma cruzi	cysteine peptidase, putative	0.0668	0.7555	0.7178
Trypanosoma cruzi	cysteine proteinase, putative	0.0355	0.3858	0.291
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0875	1	1
Leishmania major	cathepsin L-like protease	0.0668	0.7555	1
Entamoeba histolytica	cysteine protease, putative	0.0355	0.3858	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0668	0.7555	1
Echinococcus multilocularis	cysteine protease	0.0668	0.7555	0.7178
Entamoeba histolytica	cysteine protease, putative	0.0355	0.3858	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0668	0.7555	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0875	1	1
Plasmodium vivax	vivapain-2	0.0668	0.7555	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0368	0.4016	0.3093
Entamoeba histolytica	cysteine proteinase, putative	0.0455	0.5034	0.5946
Echinococcus granulosus	cathepsin b	0.0875	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0668	0.7555	0.7178
Entamoeba histolytica	cysteine proteinase, putative	0.0668	0.7555	1
Brugia malayi	Papain family cysteine protease containing protein	0.0142	0.1337	0.1337
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0668	0.7555	1
Loa Loa (eye worm)	hypothetical protein	0.0455	0.5034	0.5034
Plasmodium vivax	vivapain-3	0.0355	0.3858	0.4054
Loa Loa (eye worm)	cathepsin B	0.0368	0.4016	0.4016
Trypanosoma cruzi	cysteine peptidase, putative	0.0355	0.3858	0.291
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0455	0.5034	0.5946
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0455	0.5034	0.5034
Giardia lamblia	Cathepsin B precursor	0.0368	0.4016	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0668	0.7555	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0142	0.1337	0.1337
Brugia malayi	Papain family cysteine protease containing protein	0.0355	0.3858	0.3858
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0668	0.7555	1
Entamoeba histolytica	cysteine proteinase, putative	0.0355	0.3858	0.4054
Brugia malayi	cathepsin L-like cysteine proteinase	0.0142	0.1337	0.1337
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0668	0.7555	1
Plasmodium vivax	vivapain-1	0.0355	0.3858	0.4054
Trypanosoma cruzi	cysteine proteinase, putative	0.0355	0.3858	0.291
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0355	0.3858	0.4054
Leishmania major	cathepsin L-like protease	0.0668	0.7555	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0668	0.7555	1
Leishmania major	cysteine peptidase A (CPA)	0.0668	0.7555	1
Onchocerca volvulus		0.0455	0.5034	0.5946
Loa Loa (eye worm)	hypothetical protein	0.0142	0.1337	0.1337
Entamoeba histolytica	cysteine protease, putative	0.0355	0.3858	0.4054
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0455	0.5034	0.4268
Brugia malayi	Cathepsin L-like precursor	0.0213	0.2183	0.2183
Loa Loa (eye worm)	hypothetical protein	0.0455	0.5034	0.5034
Loa Loa (eye worm)	hypothetical protein	0.0213	0.2183	0.2183
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0668	0.7555	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0668	0.7555	0.7178
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0668	0.7555	1
Brugia malayi	Papain family cysteine protease containing protein	0.0142	0.1337	0.1337
Trypanosoma cruzi	cruzipain precursor, putative	0.0668	0.7555	0.7178
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0142	0.1337	0.1337
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0668	0.7555	0.7555
Loa Loa (eye worm)	ctsf protein	0.0668	0.7555	0.7555
Onchocerca volvulus		0.0668	0.7555	1
Loa Loa (eye worm)	hypothetical protein	0.0455	0.5034	0.5034
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0213	0.2183	0.2183
Trypanosoma cruzi	cruzipain precursor, putative	0.0213	0.2183	0.0976
Onchocerca volvulus		0.0668	0.7555	1
Entamoeba histolytica	cysteine protease, putative	0.0355	0.3858	0.4054
Echinococcus granulosus	cathepsin b	0.0875	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0355	0.3858	0.291
Schistosoma mansoni	cathepsin s	0.0213	0.2183	0.0976
Onchocerca volvulus		0.0668	0.7555	1
Loa Loa (eye worm)	hypothetical protein	0.0142	0.1337	0.1337
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0668	0.7555	1
Entamoeba histolytica	cysteine proteinase 2	0.0355	0.3858	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.0142	0.1337	0.1337
Brugia malayi	fibroinase precursor	0.0142	0.1337	0.1337
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0213	0.2183	0.2183
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0668	0.7555	1
Leishmania major	cathepsin L-like protease	0.0668	0.7555	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0355	0.3858	0.291
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0668	0.7555	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0668	0.7555	1
Leishmania major	cathepsin L-like protease	0.0668	0.7555	1
Loa Loa (eye worm)	fibroinase	0.0668	0.7555	0.7555
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0355	0.3858	0.4054
Echinococcus granulosus	cathepsin L	0.0355	0.3858	0.291
Giardia lamblia	Cathepsin B precursor	0.0368	0.4016	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0355	0.3858	0.291
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0368	0.4016	0.0429
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0668	0.7555	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0355	0.3858	0.291
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0668	0.7555	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0668	0.7555	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0668	0.7555	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0875	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0668	0.7555	1
Brugia malayi	Cathepsin L-like precursor	0.0455	0.5034	0.5034
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0668	0.7555	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0142	0.1337	0.1337
Entamoeba histolytica	cysteine protease, putative	0.0355	0.3858	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0355	0.3858	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0142	0.1337	0.1337
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0668	0.7555	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0668	0.7555	0.7178
Echinococcus granulosus	cathepsin l1	0.0455	0.5034	0.4268
Trypanosoma cruzi	cysteine peptidase, putative	0.0668	0.7555	0.7178
Brugia malayi	cathepsin F-like cysteine proteinase	0.0213	0.2183	0.2183
Onchocerca volvulus		0.0668	0.7555	1
Entamoeba histolytica	cysteine protease, putative	0.0355	0.3858	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0142	0.1337	0.1337
Trypanosoma cruzi	cysteine protease, putative	0.0355	0.3858	0.291
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0142	0.1337	0.1337
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0875	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0668	0.7555	0.7178
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0668	0.7555	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0668	0.7555	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0668	0.7555	1
Entamoeba histolytica	cysteine protease, putative	0.0355	0.3858	0.4054
Plasmodium vivax	vivapain-2	0.0668	0.7555	1
Brugia malayi	Cathepsin L-like precursor	0.0668	0.7555	0.7555
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0668	0.7555	1
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0142	0.1337	0.1337
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0455	0.5034	0.5946
Entamoeba histolytica	cysteine proteinase, putative	0.0355	0.3858	0.4054
Toxoplasma gondii	cathepsin CPL	0.0668	0.7555	1
Brugia malayi	Papain family cysteine protease containing protein	0.0668	0.7555	0.7555

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 100 uM	Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs	ChEMBL.	21169023

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: CHEMBL1645334

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 1461484