TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 301.809 | Formula: C15H24ClNO3
H donors: 1 H acceptors: 0 LogP: 2.89 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: N1CCC2(CC1)OOC1(O2)C2CC3CC1CC(C2)C3.Cl
InChi: 1S/C15H23NO3.ClH/c1-3-16-4-2-14(1)17-15(19-18-14)12-6-10-5-11(8-12)9-13(15)7-10;/h10-13,16H,1-9H2;1H
InChiKey: IXMRDWYORJQRBO-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
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Trypanosoma cruzi	metacaspase, putative	0.0157692	0.0489964	0.0489964
Leishmania major	cysteine peptidase A (CPA)	0.0124031	0.0115285	0.0115285
Echinococcus multilocularis	cathepsin L cysteine protease	0.0124031	0.0115285	0.00165239
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.101207	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0124031	0.0115285	0.0115285
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.101207	1	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0157692	0.0489964	0.0489964
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124031	0.0115285	0.0115285
Toxoplasma gondii	proteasome subunit beta type, putative	0.101207	1	1
Giardia lamblia	Proteasome subunit beta type 2	0.0122561	0.00989241	0.00989241
Echinococcus multilocularis	cysteine protease	0.0124031	0.0115285	0.00165239
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124031	0.0115285	0.0115285
Entamoeba histolytica	cysteine proteinase, putative	0.0124031	0.0115285	0.00165239
Trypanosoma brucei	metacaspase MCA3	0.0157692	0.0489964	0.0489964
Trypanosoma brucei	Metacaspase-4	0.0157692	0.0489964	0.0489964
Echinococcus granulosus	cathepsin b	0.0233893	0.133815	0.125161
Echinococcus multilocularis	caspase 2	0.0320876	0.230635	0.222948
Brugia malayi	Cathepsin L-like precursor	0.0124031	0.0115285	0.00165239
Trypanosoma brucei	proteasome subunit beta type-2, putative	0.0122561	0.00989241	0.00989241
Loa Loa (eye worm)	hypothetical protein	0.0233893	0.133815	0.133815
Echinococcus granulosus	caspase 2	0.0320876	0.230635	0.222948
Leishmania major	metacaspase, putative	0.0157692	0.0489964	0.0489964
Brugia malayi	Papain family cysteine protease containing protein	0.0124031	0.0115285	0.00165239
Trypanosoma cruzi	proteasome subunit beta type-2, putative	0.0122561	0.00989241	0.00989241
Brugia malayi	Cathepsin L-like precursor	0.0124031	0.0115285	0.00165239
Brugia malayi	hypothetical protein	0.0163184	0.0551093	0.0456686
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Trypanosoma brucei	metacaspase	0.0157692	0.0489964	0.0489964
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Echinococcus multilocularis	proteasome (prosome, macropain)	0.101207	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124031	0.0115285	0.0115285
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0233893	0.133815	0.133815
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0122561	0.00989241	0.00989241
Trichomonas vaginalis	conserved hypothetical protein	0.0157692	0.0489964	0.0489964
Schistosoma mansoni	caspase-7 (C14 family)	0.0253989	0.156183	0.156183
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124031	0.0115285	0.0115285
Schistosoma mansoni	cathepsin F (C01 family)	0.0124031	0.0115285	0.0115285
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0157692	0.0489964	0.0489964
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0124031	0.0115285	0.00165239
Echinococcus multilocularis	cathepsin L cysteine protease	0.0124031	0.0115285	0.00165239
Loa Loa (eye worm)	proteasome subunit beta type 2	0.0122561	0.00989241	0.00989241
Trichomonas vaginalis	conserved hypothetical protein	0.0157692	0.0489964	0.0489964
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0157692	0.0489964	0.0489964
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0124031	0.0115285	0.00165239
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0157692	0.0489964	0.0489964
Loa Loa (eye worm)	hypothetical protein	0.0320876	0.230635	0.230635
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Brugia malayi	Cathepsin L-like precursor	0.0124031	0.0115285	0.00165239
Trypanosoma cruzi	cysteine peptidase, putative	0.0124031	0.0115285	0.0115285
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Echinococcus multilocularis	caspase	0.0253989	0.156183	0.147752
Mycobacterium ulcerans	proteasome PrcB	0.101207	1	0.5
Leishmania major	proteasome beta 2 subunit, putative	0.0122561	0.00989241	0.00989241
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0157692	0.0489964	0.0394947
Loa Loa (eye worm)	hypothetical protein	0.0124031	0.0115285	0.0115285
Trichomonas vaginalis	conserved hypothetical protein	0.0157692	0.0489964	0.0489964
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.101207	1	0.5
Echinococcus multilocularis	cathepsin b	0.0233893	0.133815	0.125161
Echinococcus multilocularis	cathepsin b	0.0233893	0.133815	0.125161
Echinococcus multilocularis	caspase 8	0.0157692	0.0489964	0.0394947
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0157692	0.0489964	0.0489964
Leishmania major	cathepsin L-like protease	0.0124031	0.0115285	0.0115285
Echinococcus granulosus	caspase 8	0.0157692	0.0489964	0.0394947
Onchocerca volvulus	Cell death protein 3 homolog	0.0320876	0.230635	1
Brugia malayi	Cathepsin L-like precursor	0.0124031	0.0115285	0.00165239
Leishmania major	cathepsin L-like protease	0.0124031	0.0115285	0.0115285
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Plasmodium vivax	metacaspase 1, putative	0.0157692	0.0489964	0.0394947
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0157692	0.0489964	0.0489964
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0233893	0.133815	0.133815
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0124031	0.0115285	0.0115285
Trichomonas vaginalis	conserved hypothetical protein	0.0157692	0.0489964	0.0489964
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Leishmania major	cathepsin L-like protease	0.0124031	0.0115285	0.0115285
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0124031	0.0115285	0.00165239
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0124031	0.0115285	0.0115285
Loa Loa (eye worm)	fibroinase	0.0124031	0.0115285	0.0115285
Leishmania major	cathepsin L-like protease	0.0124031	0.0115285	0.0115285
Echinococcus granulosus	cathepsin l1	0.0124031	0.0115285	0.00165239
Trypanosoma cruzi	cysteine peptidase, putative	0.0124031	0.0115285	0.0115285
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124031	0.0115285	0.0115285
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.101207	1	1
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.0253989	0.156183	0.147752
Plasmodium falciparum	metacaspase 1	0.0157692	0.0489964	0.0394947
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.101207	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0157692	0.0489964	0.0394947
Schistosoma mansoni	caspase-7 (C14 family)	0.0320876	0.230635	0.230635
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0122561	0.00989241	0.00989241
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0157692	0.0489964	0.0489964
Plasmodium vivax	vivapain-2	0.0124031	0.0115285	0.00165239
Echinococcus granulosus	cathepsin b	0.0233893	0.133815	0.125161
Plasmodium vivax	vivapain-2	0.0124031	0.0115285	0.00165239
Plasmodium vivax	proteasome subunit beta type-5, putative	0.101207	1	1
Leishmania major	cathepsin L-like protease	0.0124031	0.0115285	0.0115285
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124031	0.0115285	0.0115285
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0233893	0.133815	0.133815
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0233893	0.133815	0.133815
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0124031	0.0115285	0.00165239
Loa Loa (eye worm)	hypothetical protein	0.0163184	0.0551093	0.0551093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Leishmania major	cathepsin L-like protease	0.0124031	0.0115285	0.0115285
Trichomonas vaginalis	conserved hypothetical protein	0.0157692	0.0489964	0.0489964
Loa Loa (eye worm)	cysteine protease	0.0124031	0.0115285	0.0115285
Echinococcus granulosus	proteasome prosome macropain	0.101207	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Trypanosoma brucei	metacaspase 5, putative	0.0157692	0.0489964	0.0489964
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.101207	1	1
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.101207	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124031	0.0115285	0.0115285
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124031	0.0115285	0.0115285
Loa Loa (eye worm)	ctsf protein	0.0124031	0.0115285	0.0115285
Brugia malayi	Cathepsin L-like precursor	0.0124031	0.0115285	0.00165239
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.101207	1	1
Leishmania major	cathepsin L-like protease	0.0124031	0.0115285	0.0115285
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0157692	0.0489964	0.0489964
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0124031	0.0115285	0.00165239
Schistosoma mansoni	cathepsin F (C01 family)	0.0124031	0.0115285	0.0115285
Trypanosoma cruzi	cysteine peptidase, putative	0.0124031	0.0115285	0.0115285
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0122561	0.00989241	0.00989241
Toxoplasma gondii	cathepsin CPL	0.0124031	0.0115285	0.0115285
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124031	0.0115285	0.0115285
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124031	0.0115285	0.0115285
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0122561	0.00989241	0.00989241
Plasmodium falciparum	metacaspase-like protein	0.0157692	0.0489964	0.0394947
Schistosoma mansoni	hypothetical protein	0.0163184	0.0551093	0.0551093
Brugia malayi	cathepsin B-like cysteine proteinase	0.0233893	0.133815	0.125161
Trypanosoma cruzi	metacaspase, putative	0.0157692	0.0489964	0.0489964
Trypanosoma cruzi	metacaspase 5, putative	0.0157692	0.0489964	0.0489964
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Leishmania major	proteasome beta 5 subunit, putative	0.101207	1	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0157692	0.0489964	0.0489964
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0124031	0.0115285	0.00165239
Echinococcus granulosus	caspase	0.0253989	0.156183	0.147752
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0157692	0.0489964	0.0489964
Trypanosoma cruzi	metacaspase, putative	0.0157692	0.0489964	0.0489964
Echinococcus granulosus	apoptotic protease activating factor 1	0.0163184	0.0551093	0.0456686
Schistosoma mansoni	caspase-3 (C14 family)	0.0253989	0.156183	0.156183
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Entamoeba histolytica	cysteine protease, putative	0.0124031	0.0115285	0.00165239
Trypanosoma cruzi	cysteine peptidase, putative	0.0124031	0.0115285	0.0115285
Onchocerca volvulus		0.0163184	0.0551093	0.198902
Brugia malayi	Proteasome A-type and B-type family protein	0.101207	1	1
Trypanosoma cruzi	20S proteasome subunit	0.0122561	0.00989241	0.00989241
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0157692	0.0489964	0.0489964
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0163184	0.0551093	0.0456686
Entamoeba histolytica	cysteine proteinase, putative	0.0124031	0.0115285	0.00165239
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0233893	0.133815	0.133815
Plasmodium falciparum	proteasome subunit beta type-5	0.101207	1	1
Loa Loa (eye worm)	hypothetical protein	0.0157692	0.0489964	0.0489964
Trichomonas vaginalis	conserved hypothetical protein	0.0157692	0.0489964	0.0489964
Echinococcus multilocularis	cysteine protease	0.0124031	0.0115285	0.00165239
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0157692	0.0489964	0.0489964
Trypanosoma cruzi	metacaspase 5, putative	0.0157692	0.0489964	0.0489964
Toxoplasma gondii	proteasome subunit beta type 2, putative	0.0122561	0.00989241	0.00989241
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Brugia malayi	Cell death protein 3 precursor	0.0320876	0.230635	0.222948
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.0253989	0.156183	0.147752
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.101207	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Brugia malayi	Cathepsin L-like precursor	0.0124031	0.0115285	0.00165239
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0124031	0.0115285	0.00165239
Leishmania major	cathepsin L-like protease	0.0124031	0.0115285	0.0115285
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Onchocerca volvulus		0.0303425	0.21121	0.911344
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0124031	0.0115285	0.0115285
Trypanosoma cruzi	metacaspase, putative	0.0157692	0.0489964	0.0489964
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0124031	0.0115285	0.0115285
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.101207	1	1
Trypanosoma brucei	metacaspase MCA2	0.0157692	0.0489964	0.0489964
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.0157692	0.0489964	0.0489964

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 59 %	Antimalarial activity in MORO mouse infected with Plasmodium berghei at 10 mg/kg, po	ChEMBL.	16931006
Activity (functional)	= 84 %	Antimalarial activity in MORO mouse infected with Plasmodium berghei at 10 mg/kg, sc	ChEMBL.	16931006
Activity (functional)	= 6.3 day	Survival of MORO mouse infected with Plasmodium berghei at 10 mg/kg, po after 30 day post-infection	ChEMBL.	16931006
Activity (functional)	= 7.7 day	Survival of MORO mouse infected with Plasmodium berghei at 10 mg/kg, sc after 30 day post-infection	ChEMBL.	16931006
IC50 (functional)	= 0.15 ng/ml	Antimalarial activity against Plasmodium falciparum K1	ChEMBL.	16931006
IC50 (functional)	= 0.34 ng/ml	Antimalarial activity against Plasmodium falciparum NF54	ChEMBL.	16931006

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	16931006

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: CHEMBL3084630

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 1816974