TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 609.586 | Formula: C33H38Cl2N4O3
H donors: 0 H acceptors: 2 LogP: 6.47 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: Clc1ccc(cc1)Oc1ccc(cc1N(CC(=O)N(C1Cc2c(C1)cccc2)C)CC(=O)N(CCN1CCCC1)C)Cl
InChi: 1S/C33H38Cl2N4O3/c1-36(17-18-38-15-5-6-16-38)32(40)22-39(23-33(41)37(2)28-19-24-7-3-4-8-25(24)20-28)30-21-27(35)11-14-31(30)42-29-12-9-26(34)10-13-29/h3-4,7-14,21,28H,5-6,15-20,22-23H2,1-2H3
InChiKey: HEERRBPBDDCWTG-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
Echinococcus multilocularis	cysteine protease	0.151	0.401	0.4699
Entamoeba histolytica	hypothetical protein	0.038	0.0687	0.1657
Plasmodium vivax	serine-repeat antigen (SERA)	0.038	0.0687	0.1657
Brugia malayi	cathepsin Z-like cysteine proteinase	0.038	0.0687	0.0805
Trypanosoma cruzi	major cysteine proteinase, putative	0.2417	0.6677	0.6668
Loa Loa (eye worm)	hypothetical protein	0.0458	0.0915	0.1072
Entamoeba histolytica	cysteine protease, putative	0.038	0.0687	0.1657
Loa Loa (eye worm)	hypothetical protein	0.1052	0.2663	0.312
Onchocerca volvulus		0.1052	0.2663	0.5946
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.038	0.0687	0.1657
Leishmania major	cathepsin L-like protease	0.151	0.401	0.3994
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.038	0.0687	0.0805
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.038	0.0687	0.1657
Onchocerca volvulus		0.151	0.401	1
Toxoplasma gondii	cathepsin CPL	0.151	0.401	0.9194
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.151	0.401	0.9194
Onchocerca volvulus		0.151	0.401	1
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.038	0.0687	0.1657
Loa Loa (eye worm)	ctsf protein	0.151	0.401	0.4699
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.038	0.0687	0.1523
Plasmodium vivax	vivapain-2	0.151	0.401	1
Onchocerca volvulus	Cathepsin L homolog	0.151	0.401	1
Loa Loa (eye worm)	hypothetical protein	0.038	0.0687	0.0805
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.151	0.401	0.9194
Giardia lamblia	Cathepsin B precursor	0.1629	0.4359	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.038	0.0687	0.1523
Trypanosoma brucei	cysteine peptidase C (CPC)	0.1629	0.4359	0.4344
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.038	0.0687	0.1523
Echinococcus granulosus	cathepsin l cysteine peptidase	0.151	0.401	0.4699
Entamoeba histolytica	cysteine protease, putative	0.038	0.0687	0.1657
Toxoplasma gondii	preprocathepsin c precursor, putative	0.038	0.0687	0.1523
Toxoplasma gondii	cathepsin CPC2	0.038	0.0687	0.1523
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.151	0.401	0.9194
Entamoeba histolytica	cysteine protease, putative	0.0838	0.2034	0.5039
Echinococcus granulosus	cathepsin L cysteine protease	0.0838	0.2034	0.2383
Leishmania major	cathepsin L-like protease	0.151	0.401	0.3994
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.151	0.401	0.4699
Echinococcus granulosus	cathepsin L cysteine proteinase	0.151	0.401	0.4699
Trypanosoma cruzi	cruzipain precursor, putative	0.3546	1	1
Giardia lamblia	Cathepsin B precursor	0.1629	0.4359	1
Schistosoma mansoni	cathepsin s	0.0458	0.0915	0.1072
Schistosoma mansoni	cathepsin B (C01 family)	0.038	0.0687	0.0805
Entamoeba histolytica	cysteine protease, putative	0.0838	0.2034	0.5039
Brugia malayi	cathepsin L-like precursor	0.1052	0.2663	0.312
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.038	0.0687	0.1657
Loa Loa (eye worm)	hypothetical protein	0.038	0.0687	0.0805
Leishmania major	cathepsin L-like protease	0.151	0.401	0.3994
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.151	0.401	0.9194
Echinococcus granulosus	sterol O acyltransferase 1	0.0659	0.1507	0.1766
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0458	0.0915	0.1072
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.038	0.0687	0.1657
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3546	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.038	0.0687	0.0805
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3546	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.151	0.401	0.9194
Onchocerca volvulus		0.151	0.401	1
Entamoeba histolytica	cysteine proteinase, putative	0.0838	0.2034	0.5039
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.038	0.0687	0.1523
Echinococcus multilocularis	adenosylhomocysteinase	0.0156	0.0027	0.0032
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.038	0.0687	0.0805
Entamoeba histolytica	cysteine protease, putative	0.0838	0.2034	0.5039
Entamoeba histolytica	cysteine protease, putative	0.0838	0.2034	0.5039
Entamoeba histolytica	cysteine protease, putative	0.0838	0.2034	0.5039
Brugia malayi	Papain family cysteine protease containing protein	0.0838	0.2034	0.2383
Mycobacterium leprae	putative S-adenosyl-L-homocysteine hydrolase SahH	0.0156	0.0027	0.5
Brugia malayi	Cathepsin L-like cysteine proteinase	0.1052	0.2663	0.312
Brugia malayi	cathepsin B-like cysteine proteinase	0.3048	0.8533	1
Entamoeba histolytica	cysteine protease, putative	0.0838	0.2034	0.5039
Trypanosoma cruzi	cysteine peptidase, putative	0.0838	0.2034	0.2012
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.038	0.0687	0.1657
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.038	0.0687	0.1657
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.151	0.401	0.9194
Entamoeba histolytica	cysteine protease, putative	0.151	0.401	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.038	0.0687	0.0805
Echinococcus multilocularis	cathepsin b	0.3048	0.8533	1
Loa Loa (eye worm)	hypothetical protein	0.0458	0.0915	0.1072
Brugia malayi	cathepsin Z-like cysteine proteinase	0.038	0.0687	0.0805
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.151	0.401	0.9194
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.3048	0.8533	0.8529
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.038	0.0687	0.1523
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.151	0.401	0.9194
Echinococcus multilocularis	cathepsin L	0.0838	0.2034	0.2383
Loa Loa (eye worm)	cysteine protease	0.151	0.401	0.4699
Leishmania major	cathepsin L-like protease	0.3546	1	1
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.038	0.0687	0.1657
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.038	0.0687	0.1657
Echinococcus multilocularis	cysteine protease	0.151	0.401	0.4699
Echinococcus granulosus	cathepsin L	0.038	0.0687	0.0805
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0458	0.0915	0.1072
Brugia malayi	Cathepsin L-like precursor	0.151	0.401	0.4699
Onchocerca volvulus		0.151	0.401	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.038	0.0687	0.1523
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.151	0.401	1
Mycobacterium tuberculosis	Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase)	0.0156	0.0027	0.5
Entamoeba histolytica	cysteine protease, putative	0.0838	0.2034	0.5039
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.038	0.0687	0.1523
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0838	0.2034	0.2383
Brugia malayi	Cathepsin L-like precursor	0.151	0.401	0.4699
Plasmodium falciparum	serine repeat antigen 9	0.038	0.0687	0.1657
Leishmania major	cathepsin L-like protease	0.3546	1	1
Entamoeba histolytica	cysteine protease, putative	0.0838	0.2034	0.5039
Loa Loa (eye worm)	hypothetical protein	0.1052	0.2663	0.312
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.151	0.401	0.9194
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3546	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.038	0.0687	0.0805
Loa Loa (eye worm)	cathepsin B	0.1629	0.4359	0.5108
Toxoplasma gondii	cathepsin B	0.1629	0.4359	1
Loa Loa (eye worm)	hypothetical protein	0.038	0.0687	0.0805
Brugia malayi	Cathepsin L-like precursor	0.151	0.401	0.4699
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.151	0.401	0.9194
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.038	0.0687	0.1657
Plasmodium falciparum	serine repeat antigen 8	0.038	0.0687	0.1657
Schistosoma mansoni	sterol O-acyltransferase 1	0.0659	0.1507	0.1766
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.151	0.401	0.4699
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.151	0.401	0.9194
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.151	0.401	0.9194
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.2034	0.4633
Entamoeba histolytica	cysteine protease, putative	0.038	0.0687	0.1657
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.151	0.401	0.9194
Echinococcus multilocularis	cathepsin b	0.3048	0.8533	1
Schistosoma mansoni	cathepsin S (C01 family)	0.038	0.0687	0.0805
Loa Loa (eye worm)	hypothetical protein	0.1052	0.2663	0.312
Entamoeba histolytica	cysteine protease, putative	0.038	0.0687	0.1657
Loa Loa (eye worm)	hypothetical protein	0.0595	0.1318	0.1544
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3546	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.151	0.401	0.4699
Entamoeba histolytica	cysteine proteinase, putative	0.0838	0.2034	0.5039
Entamoeba histolytica	cysteine protease, putative	0.0838	0.2034	0.5039
Loa Loa (eye worm)	adenosylhomocysteinase	0.0156	0.0027	0.0032
Plasmodium vivax	unspecified product	0.0838	0.2034	0.5039
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3546	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0838	0.2034	0.5039
Brugia malayi	Cathepsin L-like precursor	0.151	0.401	0.4699
Loa Loa (eye worm)	hypothetical protein	0.0458	0.0915	0.1072
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3546	1	1
Toxoplasma gondii	cathepsin CPC1	0.038	0.0687	0.1523
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.038	0.0687	0.1523
Echinococcus granulosus	cysteine protease	0.0838	0.2034	0.2383
Schistosoma mansoni	cathepsin C	0.038	0.0687	0.0805
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.038	0.0687	0.0805
Schistosoma mansoni	cathepsin F (C01 family)	0.151	0.401	0.4699
Trypanosoma cruzi	cysteine peptidase, putative	0.3546	1	1
Echinococcus multilocularis	cathepsin L	0.038	0.0687	0.0805
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.038	0.0687	0.1657
Plasmodium falciparum	serine repeat antigen 4	0.038	0.0687	0.1657
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.038	0.0687	0.1657
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.038	0.0687	0.1523
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0838	0.2034	0.2012
Echinococcus multilocularis	cathepsin L cysteine protease	0.151	0.401	0.4699
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0838	0.2034	0.2383
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.151	0.401	0.9194
Loa Loa (eye worm)	hypothetical protein	0.151	0.401	0.4699
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.038	0.0687	0.0805
Onchocerca volvulus		0.151	0.401	1
Plasmodium falciparum	serine repeat antigen 1	0.038	0.0687	0.1657
Onchocerca volvulus	Cathepsin F homolog	0.151	0.401	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.2034	0.2012
Echinococcus granulosus	cathepsin b	0.3048	0.8533	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3546	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.151	0.401	0.4699
Onchocerca volvulus	Cathepsin L homolog	0.151	0.401	1
Entamoeba histolytica	cysteine proteinase, putative	0.151	0.401	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.3048	0.8533	1
Brugia malayi	Cathepsin L-like precursor	0.1052	0.2663	0.312
Plasmodium falciparum	serine repeat antigen 3	0.038	0.0687	0.1657
Mycobacterium ulcerans	S-adenosyl-L-homocysteine hydrolase	0.0156	0.0027	0.5
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.038	0.0687	0.0805
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1629	0.4359	0.5108
Plasmodium vivax	serine-repeat antigen (SERA)	0.038	0.0687	0.1657
Echinococcus granulosus	cathepsin L	0.0838	0.2034	0.2383
Trypanosoma cruzi	cysteine peptidase, putative	0.151	0.401	0.3994
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.038	0.0687	0.1523
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.2034	0.4633
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.038	0.0687	0.0805
Echinococcus granulosus	cathepsin l1	0.1052	0.2663	0.312
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.3088	0.8653	0.8649
Trichomonas vaginalis	conserved hypothetical protein	0.038	0.0687	0.1523
Echinococcus granulosus	cathepsin l1	0.151	0.401	0.4699
Plasmodium falciparum	serine repeat antigen 7	0.038	0.0687	0.1657
Plasmodium falciparum	serine repeat antigen 6	0.038	0.0687	0.1657
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.038	0.0687	0.1523
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0838	0.2034	0.5039
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.1629	0.4359	0.4344
Echinococcus multilocularis	cathepsin L cysteine protease	0.151	0.401	0.4699
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.151	0.401	0.9194
Brugia malayi	Papain family cysteine protease containing protein	0.038	0.0687	0.0805
Loa Loa (eye worm)	hypothetical protein	0.0659	0.1507	0.1766
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.038	0.0687	0.1657
Entamoeba histolytica	cysteine proteinase, putative	0.151	0.401	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1052	0.2663	0.6084
Loa Loa (eye worm)	hypothetical protein	0.038	0.0687	0.0805
Trypanosoma cruzi	cysteine peptidase, putative	0.3546	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.3048	0.8533	1
Loa Loa (eye worm)	hypothetical protein	0.038	0.0687	0.0805
Plasmodium vivax	unspecified product	0.038	0.0687	0.1657
Brugia malayi	Adenosylhomocysteinase	0.0156	0.0027	0.0032
Trypanosoma cruzi	cysteine proteinase, putative	0.0838	0.2034	0.2012
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.038	0.0687	0.1523
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3546	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.038	0.0687	0.1523
Entamoeba histolytica	cysteine protease, putative	0.0838	0.2034	0.5039
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3546	1	1
Leishmania major	cathepsin L-like protease	0.151	0.401	0.3994
Loa Loa (eye worm)	hypothetical protein	0.3048	0.8533	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1629	0.4359	0.4344
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.3048	0.8533	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.151	0.401	0.9194
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.151	0.401	0.4699
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.038	0.0687	0.1657
Brugia malayi	cathepsin F-like cysteine proteinase	0.0458	0.0915	0.1072
Brugia malayi	Cathepsin L-like precursor	0.1052	0.2663	0.312
Trypanosoma cruzi	cysteine peptidase, putative	0.0458	0.0915	0.089
Brugia malayi	Cathepsin L-like precursor	0.0458	0.0915	0.1072
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.151	0.401	0.9194
Brugia malayi	cathepsin L precursor	0.038	0.0687	0.0805
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.151	0.401	0.9194
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.151	0.401	0.9194
Schistosoma mansoni	cathepsin F (C01 family)	0.1052	0.2663	0.312
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.151	0.401	0.9194
Entamoeba histolytica	cysteine proteinase, putative	0.0838	0.2034	0.5039
Onchocerca volvulus		0.151	0.401	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.038	0.0687	0.0805
Plasmodium falciparum	cysteine proteinase falcipain 3	0.151	0.401	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.038	0.0687	0.1523
Giardia lamblia	Cathepsin B precursor	0.1629	0.4359	1
Entamoeba histolytica	cysteine protease, putative	0.0838	0.2034	0.5039
Plasmodium vivax	vivapain-1	0.0838	0.2034	0.5039
Entamoeba histolytica	cysteine proteinase 2	0.0838	0.2034	0.5039
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0838	0.2034	0.2383
Entamoeba histolytica	cysteine proteinase, putative	0.1052	0.2663	0.6618
Echinococcus granulosus	adenosylhomocysteinase	0.0156	0.0027	0.0032
Entamoeba histolytica	cysteine protease, putative	0.0838	0.2034	0.5039
Echinococcus multilocularis	sterol O acyltransferase 1	0.0659	0.1507	0.1766
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.038	0.0687	0.1523
Plasmodium falciparum	serine repeat antigen 5	0.038	0.0687	0.1657
Entamoeba histolytica	cysteine protease, putative	0.038	0.0687	0.1657
Trypanosoma cruzi	cruzipain precursor, putative	0.0458	0.0915	0.089
Plasmodium vivax	unspecified product	0.0458	0.0915	0.2229
Loa Loa (eye worm)	fibroinase	0.151	0.401	0.4699
Leishmania major	cathepsin L-like protease	0.151	0.401	0.3994
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.038	0.0687	0.1657
Entamoeba histolytica	cysteine protease, putative	0.0838	0.2034	0.5039
Brugia malayi	Papain family cysteine protease containing protein	0.0838	0.2034	0.2383
Trypanosoma cruzi	cysteine peptidase, putative	0.3546	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.151	0.401	0.9194
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.151	0.401	0.9194
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.151	0.401	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.151	0.401	0.9194
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3546	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.3048	0.8533	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.038	0.0687	0.0805
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1052	0.2663	0.6084
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.038	0.0687	0.0805
Trypanosoma cruzi	cysteine protease, putative	0.0838	0.2034	0.2012
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.038	0.0687	0.0805
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.038	0.0687	0.1523
Echinococcus granulosus	cathepsin b	0.3048	0.8533	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.2034	0.2012
Entamoeba histolytica	cysteine proteinase 1, putative	0.0838	0.2034	0.5039
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.151	0.401	0.4699
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.038	0.0687	0.0805
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.151	0.401	0.9194
Brugia malayi	fibroinase precursor	0.038	0.0687	0.0805
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.1629	0.4359	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.3546	1	1
Leishmania major	cysteine peptidase A (CPA)	0.151	0.401	0.3994
Plasmodium vivax	vivapain-3	0.0838	0.2034	0.5039
Plasmodium vivax	vivapain-2	0.151	0.401	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0838	0.2034	0.2012
Onchocerca volvulus		0.151	0.401	1
Brugia malayi	Cathepsin L-like precursor	0.151	0.401	0.4699
Trypanosoma cruzi	major cysteine proteinase, putative	0.038	0.0687	0.0662
Brugia malayi	Cathepsin L-like precursor	0.151	0.401	0.4699
Schistosoma mansoni	adenosylhomocysteinase	0.0156	0.0027	0.0032
Loa Loa (eye worm)	hypothetical protein	0.038	0.0687	0.0805
Trichomonas vaginalis	conserved hypothetical protein	0.038	0.0687	0.1523
Brugia malayi	Papain family cysteine protease containing protein	0.038	0.0687	0.0805
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.151	0.401	0.9194
Entamoeba histolytica	cysteine protease, putative	0.038	0.0687	0.1657
Brugia malayi	cathepsin L-like cysteine proteinase	0.038	0.0687	0.0805
Plasmodium falciparum	serine repeat antigen 2	0.038	0.0687	0.1657
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.038	0.0687	0.1523
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.038	0.0687	0.0805

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 100 uM	Inhibition of recombinant human S-adenosyl-L-homocysteine hydrolase assessed as hydrolysis of AdoHcy after 8 mins by HPLC analysis	ChEMBL.	26037610

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: CHEMBL3597815

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 2093215