TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 401.888 | Formula: C24H20ClN3O
H donors: 1 H acceptors: 2 LogP: 4.7 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)c1ccc(cc1)C(=O)N[C@H](c1ccccc1)Cn1cncc1
InChi: 1S/C24H20ClN3O/c25-22-12-10-19(11-13-22)18-6-8-21(9-7-18)24(29)27-23(16-28-15-14-26-17-28)20-4-2-1-3-5-20/h1-15,17,23H,16H2,(H,27,29)/t23-/m0/s1
InChiKey: CIFIVCCKVZFJFT-QHCPKHFHSA-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
Trypanosoma cruzi	cruzipain precursor, putative	0.0076	0.1717	1
Echinococcus granulosus	geminin	0.0203	0.5097	0.5097
Echinococcus granulosus	cathepsin l1	0.002	0.0212	0.0212
Onchocerca volvulus		0.0013	0.0035	0.0039
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0212	0.3109
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0212	0.3109
Brugia malayi	hypothetical protein	0.0035	0.0605	0.0605
Echinococcus granulosus	histone arginine methyltransferase CARMER	0.0386	1	1
Schistosoma mansoni	hypothetical protein	0.0203	0.5097	0.5097
Loa Loa (eye worm)	Carm1-pending protein	0.0386	1	1
Echinococcus multilocularis	protein arginine N methyltransferase 7	0.0035	0.0605	0.0605
Echinococcus multilocularis	histone arginine methyltransferase CARMER	0.0386	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.1717	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0828	1
Onchocerca volvulus		0.002	0.0212	0.0234
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0828	0.0828
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.002	0.0212	0.0212
Toxoplasma gondii	bicoid-interacting protein BIN3	0.0035	0.0605	0.0401
Echinococcus granulosus	cathepsin l cysteine peptidase	0.002	0.0212	0.0212
Schistosoma mansoni	hypothetical protein	0.0035	0.0605	0.0605
Onchocerca volvulus		0.002	0.0212	0.0234
Entamoeba histolytica	hypothetical protein	0.0043	0.0828	1
Entamoeba histolytica	arginine N-methyltransferase 1, putative	0.0035	0.0605	0.7189
Schistosoma mansoni	protein arginine n-methyltransferase	0.0386	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.1717	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.1717	1
Echinococcus multilocularis	geminin	0.0203	0.5097	0.5097
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0035	0.0035
Entamoeba histolytica	arginine N-methyltransferase protein, putative	0.0035	0.0605	0.7189
Loa Loa (eye worm)	hypothetical protein	0.002	0.0212	0.0212
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0013	0.0035	0.0035
Loa Loa (eye worm)	ctsf protein	0.002	0.0212	0.0212
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.1717	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0212	0.3109
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0212	0.3109
Onchocerca volvulus	Cathepsin L homolog	0.002	0.0212	0.0234
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.1717	1
Leishmania major	arginine N-methyltransferase, type I	0.0035	0.0605	0.2608
Leishmania major	arginine N-methyltransferase, type III, putative;with=GeneDB:Tb927.7.5490	0.0035	0.0605	0.2608
Brugia malayi	Protein arginine N-methyltransferase	0.0035	0.0605	0.0605
Onchocerca volvulus	Cathepsin F homolog	0.002	0.0212	0.0234
Loa Loa (eye worm)	cysteine protease	0.002	0.0212	0.0212
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0212	0.3109
Brugia malayi	cathepsin L-like precursor	0.0013	0.0035	0.0035
Onchocerca volvulus		0.0351	0.9072	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0035	0.0035
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0212	0.3109
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.1717	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.1717	1
Trypanosoma cruzi	arginine N-methyltransferase, type I	0.0035	0.0605	0.2608
Brugia malayi	hypothetical protein	0.0043	0.0828	0.0828
Onchocerca volvulus		0.002	0.0212	0.0234
Toxoplasma gondii	histone arginine methyltransferase PRMT4/CARM1	0.0386	1	1
Echinococcus granulosus	methyltransferase protein 5	0.0035	0.0605	0.0605
Trypanosoma cruzi	arginine N-methyltransferase, type III	0.0035	0.0605	0.2608
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.1717	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0605	0.7189
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.002	0.0212	0.0212
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.1717	1
Onchocerca volvulus		0.002	0.0212	0.0234
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0212	0.3109
Brugia malayi	Cathepsin L-like precursor	0.002	0.0212	0.0212
Echinococcus granulosus	protein arginine N methyltransferase 7	0.0035	0.0605	0.0605
Echinococcus multilocularis	cysteine protease	0.002	0.0212	0.0212
Trypanosoma cruzi	major cysteine proteinase, putative	0.006	0.1281	0.7098
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0212	0.3109
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0212	0.3109
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0828	0.0828
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0212	0.3109
Brugia malayi	Cathepsin L-like precursor	0.002	0.0212	0.0212
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0212	0.3109
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0212	0.3109
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.002	0.0212	0.0212
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0212	0.3109
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.007	0.154	0.8824
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.002	0.0212	0.5
Trypanosoma cruzi	arginine N-methyltransferase, type I	0.0035	0.0605	0.2608
Brugia malayi	Papain family cysteine protease containing protein	0.002	0.0212	0.0212
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0035	0.0035
Trypanosoma cruzi	cysteine peptidase, putative	0.0076	0.1717	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0212	0.3109
Trichomonas vaginalis	protein arginine N-methyltransferase, putative	0.0035	0.0605	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.002	0.0212	0.0212
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.0212	0.0212
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0035	0.0035
Schistosoma mansoni	cathepsin F (C01 family)	0.0013	0.0035	0.0035
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0212	0.3109
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0212	0.3109
Entamoeba histolytica	hypothetical protein	0.0043	0.0828	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.002	0.0212	0.5
Loa Loa (eye worm)	fibroinase	0.002	0.0212	0.0212
Onchocerca volvulus	Cathepsin L homolog	0.002	0.0212	0.0234
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.0212	0.0212
Trichomonas vaginalis	protein arginine N-methyltransferase, putative	0.0035	0.0605	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0212	0.3109
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.0212	0.3109
Trichomonas vaginalis	protein arginine N-methyltransferase, putative	0.0035	0.0605	1
Trypanosoma cruzi	arginine N-methyltransferase, putative	0.0035	0.0605	0.2608
Echinococcus granulosus	cathepsin l1	0.0013	0.0035	0.0035
Brugia malayi	Cathepsin L-like precursor	0.002	0.0212	0.0212
Schistosoma mansoni	hypothetical protein	0.0043	0.0828	0.0828
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.002	0.0212	0.5
Trypanosoma cruzi	arginine N-methyltransferase, putative	0.0035	0.0605	0.2608
Echinococcus granulosus	cathepsin L cysteine proteinase	0.002	0.0212	0.0212
Schistosoma mansoni	hypothetical protein	0.0203	0.5097	0.5097
Leishmania major	cathepsin L-like protease	0.0076	0.1717	1
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.0212	0.2235
Trypanosoma cruzi	protein arginine n-methyltransferase 7	0.0035	0.0605	0.2608
Onchocerca volvulus		0.002	0.0212	0.0234
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0212	0.3109
Trypanosoma cruzi	cysteine peptidase, putative	0.0076	0.1717	1
Echinococcus multilocularis	cysteine protease	0.002	0.0212	0.0212
Brugia malayi	Cathepsin L-like precursor	0.002	0.0212	0.0212
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.1717	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0212	0.3109
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0605	0.0605
Onchocerca volvulus		0.002	0.0212	0.0234
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0212	0.3109
Brugia malayi	Cathepsin L-like precursor	0.002	0.0212	0.0212
Entamoeba histolytica	hypothetical protein	0.0043	0.0828	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.0212	0.3109
Leishmania major	cathepsin L-like protease	0.0076	0.1717	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0035	0.0035
Brugia malayi	Cathepsin L-like precursor	0.002	0.0212	0.0212
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.0212	0.2235
Loa Loa (eye worm)	protein arginine N-methyltransferase	0.0035	0.0605	0.0605
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0212	0.3109
Plasmodium vivax	vivapain-2	0.002	0.0212	0.5
Toxoplasma gondii	histone arginine methyltransferase PRMT3	0.0035	0.0605	0.0401
Echinococcus multilocularis	cathepsin L cysteine protease	0.002	0.0212	0.0212
Onchocerca volvulus		0.002	0.0212	0.0234
Leishmania major	cathepsin L-like protease	0.0076	0.1717	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.002	0.0212	0.0212
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0212	0.3109
Entamoeba histolytica	cysteine protease, putative	0.002	0.0212	0.2235
Trypanosoma cruzi	cysteine peptidase, putative	0.0076	0.1717	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0212	0.3109
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0076	0.1717	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0828	0.0828
Plasmodium vivax	vivapain-2	0.002	0.0212	0.5

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: CHEMBL1236676

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 1192020