TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 490.677 | Formula: C31H42N2O3
H donors: 3 H acceptors: 2 LogP: 5.62 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCc1ccc2c(c1)[C@@H](NC[C@H]([C@H]1NC(=O)CCCCCCc3cc(C1)ccc3)O)CC1(O2)CCC1
InChi: 1S/C31H42N2O3/c1-2-22-13-14-29-25(18-22)27(20-31(36-29)15-8-16-31)32-21-28(34)26-19-24-11-7-10-23(17-24)9-5-3-4-6-12-30(35)33-26/h7,10-11,13-14,17-18,26-28,32,34H,2-6,8-9,12,15-16,19-21H2,1H3,(H,33,35)/t26-,27-,28+/m0/s1
InChiKey: NUISAGYICVEVAE-HZFUHODCSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	cathepsin D	Starlite/ChEMBL	References
Homo sapiens	beta-site APP-cleaving enzyme 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma japonicum	ko:K01379 cathepsin D [EC3.4.23.5], putative	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium berghei	plasmepsin VI	Get druggable targets OG5_126885	All targets in OG5_126885
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	Get druggable targets OG5_126885	All targets in OG5_126885
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	cathepsin D (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	plasmepsin	Get druggable targets OG5_126885	All targets in OG5_126885
Babesia bovis	eukaryotic aspartyl protease family protein	Get druggable targets OG5_126885	All targets in OG5_126885
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	memapsin-2 (A01 family)	Get druggable targets OG5_135830	All targets in OG5_135830
Neospora caninum	Pepsinogen A1, related	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium knowlesi	plasmepsin IV, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin VI	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium vivax	aspartyl proteinase, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Theileria parva	cathepsin E, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin II	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium vivax	plasmepsin IV, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Cryptosporidium hominis	aspartyl protease precursor	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin IV	Get druggable targets OG5_126885	All targets in OG5_126885
Loa Loa (eye worm)	aspartic protease BmAsp-2	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma japonicum	Cathepsin D precursor, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Cryptosporidium parvum	membrane bound aspartyl proteinase with a signal peptide plus transmembrane domain	Get druggable targets OG5_126885	All targets in OG5_126885
Theileria parva	pepsinogen, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Candida albicans	vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C)	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	cathepsin D (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma japonicum	ko:K07747 beta-site APP-cleaving enzyme 2 (memapsin 1) [EC3.4.23.45], putative	Get druggable targets OG5_135830	All targets in OG5_135830
Neospora caninum	Renin, related	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium knowlesi	aspartyl protease, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium berghei	plasmepsin IV	Get druggable targets OG5_126885	All targets in OG5_126885
Candida albicans	vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C)	Get druggable targets OG5_126885	All targets in OG5_126885
Toxoplasma gondii	aspartyl protease ASP1	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin I	Get druggable targets OG5_126885	All targets in OG5_126885
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	plasmepsin X	cathepsin D	412 aa	339 aa	28.9 %
Plasmodium falciparum	plasmepsin VII	beta-site APP-cleaving enzyme 1	401 aa	352 aa	21.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	cathepsin B	0.009	0.0258	0.0258
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0709	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0489	0.6538	1
Entamoeba histolytica	cysteine proteinase 2	0.0252	0.2804	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0489	0.6538	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0252	0.2804	0.4054
Plasmodium vivax	unspecified product	0.009	0.0258	0.0252
Brugia malayi	Cathepsin L-like precursor	0.0489	0.6538	0.6538
Giardia lamblia	Cathepsin L precursor	0.009	0.0258	0.5
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.009	0.0258	0.0252
Brugia malayi	cathepsin L precursor	0.009	0.0258	0.0258
Echinococcus multilocularis	cathepsin L cysteine protease	0.0489	0.6538	0.6505
Entamoeba histolytica	cysteine protease, putative	0.0252	0.2804	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0489	0.6538	0.6538
Trypanosoma cruzi	cysteine peptidase, putative	0.0489	0.6538	1
Echinococcus granulosus	cathepsin b	0.009	0.0258	0.0164
Trypanosoma cruzi	cruzipain precursor, putative	0.0489	0.6538	1
Onchocerca volvulus	Cathepsin L homolog	0.0489	0.6538	0.6446
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0252	0.2804	0.2734
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.009	0.0258	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0162	0.1383	0.1383
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.009	0.0258	0.0164
Echinococcus multilocularis	cathepsin L	0.009	0.0258	0.0164
Trypanosoma cruzi	cysteine peptidase, putative	0.0162	0.1383	0.1791
Plasmodium falciparum	serine repeat antigen 5	0.009	0.0258	0.0252
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0709	1	1
Plasmodium vivax	unspecified product	0.0252	0.2804	0.4204
Onchocerca volvulus	Putative titin	0.0097	0.0359	0.0103
Entamoeba histolytica	cysteine proteinase, putative	0.0252	0.2804	0.4054
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0709	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0489	0.6538	1
Echinococcus multilocularis	cysteine protease	0.0489	0.6538	0.6505
Echinococcus granulosus	cathepsin l1	0.0489	0.6538	0.6505
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0489	0.6538	0.6538
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0489	0.6538	1
Entamoeba histolytica	cysteine protease, putative	0.0252	0.2804	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0252	0.2804	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0489	0.6538	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0162	0.1383	0.1383
Plasmodium falciparum	serine repeat antigen 8	0.009	0.0258	0.0252
Giardia lamblia	Encystation-specific protease	0.009	0.0258	0.5
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.008	0.0096	0.0096
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.009	0.0258	0.0252
Entamoeba histolytica	cysteine protease, putative	0.0252	0.2804	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.009	0.0258	0.0252
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.009	0.0258	0.0164
Entamoeba histolytica	cysteine protease, putative	0.0489	0.6538	1
Giardia lamblia	Hypothetical protein	0.009	0.0258	0.5
Giardia lamblia	Cathepsin L precursor	0.009	0.0258	0.5
Plasmodium falciparum	serine repeat antigen 3	0.009	0.0258	0.0252
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.009	0.0258	0.0258
Brugia malayi	Papain family cysteine protease containing protein	0.0252	0.2804	0.2804
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0489	0.6538	1
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.009	0.0258	0.0252
Schistosoma mansoni	serine/threonine protein kinase	0.0709	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0489	0.6538	1
Loa Loa (eye worm)	hypothetical protein	0.009	0.0258	0.0258
Brugia malayi	Cathepsin L-like precursor	0.0327	0.3992	0.3992
Loa Loa (eye worm)	hypothetical protein	0.0162	0.1383	0.1383
Giardia lamblia	Cathepsin B precursor	0.009	0.0258	0.5
Plasmodium vivax	vivapain-3	0.0252	0.2804	0.4204
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0489	0.6538	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.009	0.0258	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0489	0.6538	0.6538
Loa Loa (eye worm)	fibroinase	0.0489	0.6538	0.6538
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0489	0.6538	0.6505
Giardia lamblia	Cathepsin L-like protease	0.009	0.0258	0.5
Plasmodium falciparum	serine repeat antigen 2	0.009	0.0258	0.0252
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.009	0.0258	0.0252
Toxoplasma gondii	cathepsin CPC2	0.009	0.0258	0.0252
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0489	0.6538	0.6505
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.009	0.0258	0.0164
Schistosoma mansoni	cathepsin C	0.009	0.0258	0.0164
Entamoeba histolytica	cysteine proteinase, putative	0.0252	0.2804	0.4054
Echinococcus multilocularis	roundabout 2	0.01	0.0411	0.0318
Entamoeba histolytica	cysteine protease, putative	0.0252	0.2804	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0489	0.6538	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0489	0.6538	1
Plasmodium vivax	vivapain-2	0.0489	0.6538	1
Giardia lamblia	Cathepsin L precursor	0.009	0.0258	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.009	0.0258	0.0164
Giardia lamblia	Cathepsin L precursor	0.009	0.0258	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.009	0.0258	0.0252
Brugia malayi	fibroinase precursor	0.009	0.0258	0.0258
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0489	0.6538	1
Echinococcus multilocularis	cathepsin b	0.009	0.0258	0.0164
Trypanosoma cruzi	cysteine proteinase, putative	0.0252	0.2804	0.4054
Onchocerca volvulus		0.0489	0.6538	0.6446
Entamoeba histolytica	cysteine protease, putative	0.0252	0.2804	0.4054
Echinococcus granulosus	cysteine protease	0.0252	0.2804	0.2734
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.009	0.0258	0.5
Entamoeba histolytica	cysteine protease, putative	0.0252	0.2804	0.4054
Echinococcus granulosus	roundabout 2	0.01	0.0411	0.0318
Echinococcus granulosus	cathepsin l1	0.0327	0.3992	0.3934
Plasmodium vivax	vivapain-2	0.0489	0.6538	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0252	0.2804	0.2734
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.009	0.0258	0.0252
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0489	0.6538	1
Leishmania major	cathepsin L-like protease	0.0489	0.6538	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0489	0.6538	1
Plasmodium falciparum	serine repeat antigen 1	0.009	0.0258	0.0252
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.009	0.0258	0.0252
Leishmania major	cathepsin L-like protease	0.0489	0.6538	1
Onchocerca volvulus	Cathepsin F homolog	0.0489	0.6538	0.6446
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.009	0.0258	0.0164
Brugia malayi	Cathepsin L-like precursor	0.0327	0.3992	0.3992
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.3992	0.6048
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0489	0.6538	1
Onchocerca volvulus		0.0489	0.6538	0.6446
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0489	0.6538	1
Loa Loa (eye worm)	hypothetical protein	0.0162	0.1383	0.1383
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0252	0.2804	0.2734
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0252	0.2804	0.4204
Loa Loa (eye worm)	hypothetical protein	0.009	0.0258	0.0258
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0489	0.6538	0.6505
Giardia lamblia	Cathepsin B precursor	0.009	0.0258	0.5
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0327	0.3992	0.3992
Toxoplasma gondii	cathepsin CPL	0.0489	0.6538	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0489	0.6538	1
Plasmodium falciparum	serine repeat antigen 9	0.009	0.0258	0.0252
Giardia lamblia	Cathepsin L precursor	0.009	0.0258	0.5
Echinococcus multilocularis	cathepsin L cysteine protease	0.0489	0.6538	0.6505
Brugia malayi	Cathepsin L-like precursor	0.0489	0.6538	0.6538
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0252	0.2804	0.4054
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0327	0.3992	0.5946
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.009	0.0258	0.0164
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.009	0.0258	0.0252
Leishmania major	cathepsin L-like protease	0.0489	0.6538	1
Brugia malayi	Papain family cysteine protease containing protein	0.009	0.0258	0.0258
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0489	0.6538	1
Loa Loa (eye worm)	hypothetical protein	0.009	0.0258	0.0258
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.009	0.0258	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0156	0.1295	0.1295
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.009	0.0258	0.0252
Schistosoma mansoni	cathepsin B (C01 family)	0.009	0.0258	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0327	0.3992	0.3992
Plasmodium falciparum	serine repeat antigen 7	0.009	0.0258	0.0252
Onchocerca volvulus	Basement membrane proteoglycan homolog	0.0097	0.0359	0.0103
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.009	0.0258	0.0252
Brugia malayi	cathepsin B-like cysteine proteinase	0.009	0.0258	0.0258
Plasmodium vivax	vivapain-1	0.0252	0.2804	0.4204
Leishmania major	cysteine peptidase A (CPA)	0.0489	0.6538	1
Entamoeba histolytica	cysteine proteinase, putative	0.0252	0.2804	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.009	0.0258	0.0252
Entamoeba histolytica	cysteine protease, putative	0.0252	0.2804	0.4054
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0252	0.2804	0.2734
Onchocerca volvulus		0.0489	0.6538	0.6446
Loa Loa (eye worm)	hypothetical protein	0.009	0.0258	0.0258
Echinococcus granulosus	hemicentin 1	0.0097	0.0359	0.0265
Schistosoma mansoni	cathepsin S (C01 family)	0.009	0.0258	0.0164
Brugia malayi	Cathepsin L-like precursor	0.0162	0.1383	0.1383
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0489	0.6538	1
Giardia lamblia	Cysteine protease	0.009	0.0258	0.5
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0489	0.6538	0.6538
Entamoeba histolytica	cysteine protease, putative	0.0252	0.2804	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0489	0.6538	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0489	0.6538	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0489	0.6538	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0489	0.6538	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0489	0.6538	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0489	0.6538	1
Giardia lamblia	Cathepsin B precursor	0.009	0.0258	0.5
Plasmodium vivax	unspecified product	0.0162	0.1383	0.1998
Entamoeba histolytica	cysteine protease, putative	0.0252	0.2804	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0252	0.2804	0.4054
Loa Loa (eye worm)	ctsf protein	0.0489	0.6538	0.6538
Giardia lamblia	Cysteine protease	0.009	0.0258	0.5
Brugia malayi	Papain family cysteine protease containing protein	0.0489	0.6538	0.6538
Entamoeba histolytica	cysteine protease, putative	0.0252	0.2804	0.4054
Onchocerca volvulus	Cathepsin L homolog	0.0489	0.6538	0.6446
Entamoeba histolytica	cysteine proteinase, putative	0.0327	0.3992	0.5946
Schistosoma mansoni	memapsin-2 (A01 family)	0.0535	0.7263	0.7237
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0489	0.6538	1
Giardia lamblia	Cathepsin B precursor	0.009	0.0258	0.5
Brugia malayi	Cathepsin L-like precursor	0.0489	0.6538	0.6538
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.009	0.0258	0.0164
Echinococcus granulosus	neuroglian	0.01	0.0411	0.0318
Schistosoma mansoni	cathepsin D (A01 family)	0.0195	0.1907	0.1828
Brugia malayi	Papain family cysteine protease containing protein	0.0252	0.2804	0.2804
Echinococcus multilocularis	hemicentin 1	0.0097	0.0359	0.0265
Brugia malayi	Papain family cysteine protease containing protein	0.009	0.0258	0.0258
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.0258	0.0252
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0489	0.6538	1
Schistosoma mansoni	nephrin	0.01	0.0411	0.0318
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0489	0.6538	1
Loa Loa (eye worm)	hypothetical protein	0.009	0.0258	0.0258
Schistosoma mansoni	cathepsin F (C01 family)	0.0327	0.3992	0.3934
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.009	0.0258	0.0252
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.009	0.0258	0.0164
Leishmania major	cathepsin L-like protease	0.0489	0.6538	1
Leishmania major	cathepsin L-like protease	0.0489	0.6538	1
Loa Loa (eye worm)	hypothetical protein	0.009	0.0258	0.0258
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.009	0.0258	0.0164
Schistosoma mansoni	cathepsin F (C01 family)	0.0489	0.6538	0.6505
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.009	0.0258	0.0252
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0162	0.1383	0.1383
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.009	0.0258	0.0258
Echinococcus multilocularis	cathepsin L	0.0252	0.2804	0.2734
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.009	0.0258	0.0252
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.009	0.0258	0.5
Brugia malayi	Cathepsin L-like precursor	0.0489	0.6538	0.6538
Toxoplasma gondii	cathepsin B	0.009	0.0258	0.0252
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0489	0.6538	1
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.009	0.0258	0.0252
Schistosoma mansoni	cathepsin s	0.0162	0.1383	0.13
Onchocerca volvulus		0.0097	0.0359	0.0103
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0489	0.6538	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0489	0.6538	1
Loa Loa (eye worm)	hypothetical protein	0.01	0.0411	0.0411
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0709	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0489	0.6538	0.6505
Loa Loa (eye worm)	hypothetical protein	0.0327	0.3992	0.3992
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.009	0.0258	0.0252
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0489	0.6538	1
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.009	0.0258	0.0252
Echinococcus granulosus	twitchin	0.0104	0.0475	0.0383
Onchocerca volvulus		0.0097	0.0359	0.0103
Schistosoma mansoni	titin	0.0097	0.0359	0.0265
Onchocerca volvulus		0.0327	0.3992	0.3833
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0489	0.6538	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0162	0.1383	0.1383
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.009	0.0258	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0489	0.6538	1
Giardia lamblia	Cathepsin B precursor	0.009	0.0258	0.5
Giardia lamblia	Cysteine protease	0.009	0.0258	0.5
Giardia lamblia	Cathepsin B-like cysteine proteinase 3 precursor	0.009	0.0258	0.5
Giardia lamblia	Cathepsin B precursor	0.009	0.0258	0.5
Schistosoma mansoni	hypothetical protein	0.0097	0.0359	0.0265
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.009	0.0258	0.0258
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0252	0.2804	0.4204
Trypanosoma cruzi	cruzipain precursor, putative	0.0162	0.1383	0.1791
Plasmodium vivax	serine-repeat antigen (SERA)	0.009	0.0258	0.0252
Brugia malayi	cathepsin Z-like cysteine proteinase	0.009	0.0258	0.0258
Leishmania major	cathepsin L-like protease	0.0489	0.6538	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0489	0.6538	1
Leishmania major	cathepsin L-like protease	0.0489	0.6538	1
Brugia malayi	cathepsin L-like cysteine proteinase	0.009	0.0258	0.0258
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.009	0.0258	0.0164
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.009	0.0258	0.0252
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.009	0.0258	0.0252
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.009	0.0258	0.0252
Onchocerca volvulus	Netrin receptor homolog	0.0097	0.0359	0.0103
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0489	0.6538	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0252	0.2804	0.4054
Giardia lamblia	Cathepsin L precursor	0.009	0.0258	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.009	0.0258	0.0164
Brugia malayi	cathepsin Z-like cysteine proteinase	0.009	0.0258	0.0258
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0489	0.6538	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.009	0.0258	0.0252
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.009	0.0258	0.0252
Loa Loa (eye worm)	cysteine protease	0.0489	0.6538	0.6538
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.3992	0.6048
Entamoeba histolytica	cysteine protease, putative	0.0252	0.2804	0.4054
Trypanosoma cruzi	cysteine protease, putative	0.0252	0.2804	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0489	0.6538	1
Trichomonas vaginalis	conserved hypothetical protein	0.009	0.0258	0.0252
Toxoplasma gondii	preprocathepsin c precursor, putative	0.009	0.0258	0.0252
Onchocerca volvulus		0.0489	0.6538	0.6446
Leishmania major	cathepsin L-like protease	0.0489	0.6538	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0489	0.6538	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.0096	0.0096
Entamoeba histolytica	cysteine protease, putative	0.0252	0.2804	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0252	0.2804	0.4204
Trypanosoma cruzi	cysteine peptidase, putative	0.0489	0.6538	1
Onchocerca volvulus		0.0489	0.6538	0.6446
Loa Loa (eye worm)	hypothetical protein	0.009	0.0258	0.0258
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0489	0.6538	1
Onchocerca volvulus		0.0489	0.6538	0.6446
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0489	0.6538	1
Onchocerca volvulus	Tyrosine kinase homolog	0.0111	0.0585	0.0336
Giardia lamblia	Cathepsin L-like protease	0.009	0.0258	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0252	0.2804	0.4054
Echinococcus granulosus	cathepsin b	0.009	0.0258	0.0164
Echinococcus multilocularis	cathepsin b	0.009	0.0258	0.0164
Giardia lamblia	Cysteine protease	0.009	0.0258	0.5
Onchocerca volvulus		0.0489	0.6538	0.6446
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0709	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0489	0.6538	0.6505
Echinococcus granulosus	cathepsin L	0.0252	0.2804	0.2734
Loa Loa (eye worm)	hypothetical protein	0.0327	0.3992	0.3992
Entamoeba histolytica	cysteine proteinase, putative	0.0489	0.6538	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.009	0.0258	0.0164
Entamoeba histolytica	cysteine proteinase 1, putative	0.0252	0.2804	0.4054
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.009	0.0258	0.0252
Entamoeba histolytica	cysteine protease, putative	0.0252	0.2804	0.4054
Giardia lamblia	Cathepsin B precursor	0.009	0.0258	0.5
Giardia lamblia	Hypothetical protein	0.009	0.0258	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.009	0.0258	0.0252
Plasmodium vivax	serine-repeat antigen (SERA)	0.009	0.0258	0.0252
Schistosoma mansoni	cathepsin D (A01 family)	0.0195	0.1907	0.1828
Toxoplasma gondii	cathepsin CPC1	0.009	0.0258	0.0252
Brugia malayi	cathepsin L-like precursor	0.0327	0.3992	0.3992
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.009	0.0258	0.0252
Brugia malayi	cathepsin F-like cysteine proteinase	0.009	0.0258	0.0258
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.009	0.0258	0.0252
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.009	0.0258	0.0252
Echinococcus granulosus	contactin	0.0097	0.0359	0.0265
Echinococcus multilocularis	neuroglian	0.01	0.0411	0.0318
Brugia malayi	Papain family cysteine protease containing protein	0.009	0.0258	0.0258
Plasmodium falciparum	serine repeat antigen 6	0.009	0.0258	0.0252
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.009	0.0258	0.0252
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0489	0.6538	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0489	0.6538	1
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.009	0.0258	0.0252
Echinococcus granulosus	cathepsin L	0.009	0.0258	0.0164
Giardia lamblia	Cathepsin B precursor	0.009	0.0258	0.5
Plasmodium falciparum	serine repeat antigen 4	0.009	0.0258	0.0252
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0709	1	1
Brugia malayi	Cathepsin L-like precursor	0.0489	0.6538	0.6538
Echinococcus multilocularis	cysteine protease	0.0489	0.6538	0.6505
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.009	0.0258	0.0252

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.017 uM	Inhibition of human recombinant BACE1 after 60 mins by FRET assay	ChEMBL.	23769639
IC50 (binding)	= 0.058 uM	Inhibition of BACE1 in HEK293T cells expressing APPswedish mutant assessed as inhibition of amyloid beta 40 production by sandwich ELISA	ChEMBL.	23769639
IC50 (binding)	= 0.37 uM	Inhibition of Cathepsin D (unknown origin) by FRET assay	ChEMBL.	23769639
Ratio IC50 (binding)	= 3.4	Ratio of IC50 for BACE1 in HEK293T cells expressing APPswedish mutant assessed as inhibition of amyloid beta 40 production to IC50 for human recombinant BACE1	ChEMBL.	23769639

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: CHEMBL2407344

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1771160