TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 298.29 | Formula: C17H14O5
H donors: 1 H acceptors: 3 LogP: 3.37 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(OC)c2c(c1)C(=O)c1c(C2=O)c(O)c(cc1)C
InChi: 1S/C17H14O5/c1-8-4-5-10-14(15(8)18)17(20)13-11(16(10)19)6-9(21-2)7-12(13)22-3/h4-7,18H,1-3H3
InChiKey: ZGXXIZXPGKHJTM-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	elastase, neutrophil expressed	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	transmembrane protease serine 3	elastase, neutrophil expressed	267 aa	236 aa	27.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0298	0.0763	0.0763
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.012	0.0159	0.0159
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0383	0.1051	0.5751
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0224	0.0514	0.1762
Brugia malayi	cathepsin F-like cysteine proteinase	0.0118	0.0153	0.031
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0383	0.1051	0.3602
Giardia lamblia	Cathepsin B precursor	0.0352	0.0947	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0092	0.0065	0.0221
Brugia malayi	Cathepsin L-like precursor	0.0383	0.1051	0.3457
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0092	0.0065	0.0221
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0383	0.1051	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0383	0.1051	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0383	0.1051	0.3602
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0383	0.1051	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.021	0.0465	0.0465
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0112	0.0134	0.0243
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0582	0.1729	0.5924
Entamoeba histolytica	cysteine protease, putative	0.021	0.0465	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0383	0.1051	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0352	0.0947	0.3246
Onchocerca volvulus		0.0112	0.0134	0.0702
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.0465	0.2073
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0092	0.0065	0.0065
Entamoeba histolytica	cysteine proteinase 1, putative	0.021	0.0465	0.4054
Entamoeba histolytica	cysteine protease, putative	0.021	0.0465	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0092	0.0065	0.0065
Brugia malayi	Peptidase family M1 containing protein	0.0292	0.0742	0.2375
Brugia malayi	cathepsin B-like cysteine proteinase	0.0933	0.2918	1
Echinococcus multilocularis	cathepsin b	0.0933	0.2918	1
Entamoeba histolytica	cysteine proteinase 2	0.021	0.0465	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0383	0.1051	0.3457
Plasmodium vivax	vivapain-2	0.0383	0.1051	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0383	0.1051	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0383	0.1051	0.3602
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0383	0.1051	0.5751
Brugia malayi	Papain family cysteine protease containing protein	0.0383	0.1051	0.3457
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0582	0.1729	0.1729
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0582	0.1729	1
Toxoplasma gondii	cathepsin B	0.0352	0.0947	0.8946
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0112	0.0134	0.0702
Entamoeba histolytica	cysteine protease, putative	0.021	0.0465	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0265	0.0651	0.2056
Loa Loa (eye worm)	aminopeptidase N	0.0112	0.0134	0.0459
Brugia malayi	Cathepsin L-like precursor	0.0118	0.0153	0.031
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0549	0.1616	0.1616
Echinococcus multilocularis	cysteine protease	0.0383	0.1051	0.3602
Leishmania major	cysteine peptidase A (CPA)	0.0383	0.1051	0.5751
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0092	0.0065	0.0065
Entamoeba histolytica	cysteine protease, putative	0.021	0.0465	0.4054
Brugia malayi	follicle stimulating hormone receptor	0.0224	0.0514	0.1576
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.0465	0.4054
Loa Loa (eye worm)	cysteine protease	0.0383	0.1051	0.3602
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0383	0.1051	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0383	0.1051	0.5751
Entamoeba histolytica	cysteine protease, putative	0.021	0.0465	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0383	0.1051	1
Entamoeba histolytica	cysteine protease, putative	0.021	0.0465	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0252	0.0608	0.2085
Leishmania major	cathepsin L-like protease	0.0383	0.1051	0.5751
Giardia lamblia	Cathepsin B precursor	0.0352	0.0947	1
Plasmodium vivax	vivapain-1	0.021	0.0465	0.4054
Echinococcus granulosus	Lysosomal Pro X carboxypeptidase	0.0826	0.2556	0.8732
Echinococcus multilocularis	aminopeptidase N	0.0292	0.0742	0.2544
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0112	0.0134	0.0134
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0298	0.0763	0.7084
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0383	0.1051	0.3602
Onchocerca volvulus	Cathepsin L homolog	0.0383	0.1051	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0265	0.0651	0.5946
Echinococcus granulosus	cysteine protease	0.021	0.0465	0.1402
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.021	0.0465	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0355	0.0957	0.3278
Trypanosoma cruzi	cysteine proteinase, putative	0.021	0.0465	0.1592
Entamoeba histolytica	cysteine protease, putative	0.021	0.0465	0.4054
Entamoeba histolytica	cysteine protease, putative	0.021	0.0465	0.4054
Schistosoma mansoni	cathepsin F (C01 family)	0.0265	0.0651	0.0651
Brugia malayi	Cathepsin L-like precursor	0.0265	0.0651	0.2056
Trypanosoma cruzi	cysteine peptidase, putative	0.0383	0.1051	0.3602
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0383	0.1051	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0118	0.0153	0.0524
Schistosoma mansoni	cathepsin F (C01 family)	0.0383	0.1051	0.1051
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0065	0.0221
Giardia lamblia	Cathepsin B precursor	0.0352	0.0947	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0383	0.1051	1
Echinococcus granulosus	cathepsin b	0.0933	0.2918	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0383	0.1051	1
Onchocerca volvulus		0.0383	0.1051	1
Echinococcus granulosus	cathepsin l1	0.0383	0.1051	0.3457
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0582	0.1729	0.5924
Brugia malayi	Peptidase family M1 containing protein	0.0112	0.0134	0.0243
Brugia malayi	cathepsin L-like precursor	0.0265	0.0651	0.2056
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0092	0.0065	0.0221
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0933	0.2918	0.2918
Brugia malayi	hypothetical protein	0.0228	0.0525	0.1614
Leishmania major	cathepsin L-like protease	0.0383	0.1051	0.5751
Schistosoma mansoni	cathepsin F (C01 family)	0.0383	0.1051	0.1051
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0092	0.0065	0.0065
Schistosoma mansoni	cathepsin B (C01 family)	0.0092	0.0065	0.0065
Entamoeba histolytica	cysteine proteinase, putative	0.021	0.0465	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0179	0.0362	0.1239
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0065	0.0221
Onchocerca volvulus		0.0383	0.1051	1
Leishmania major	cathepsin L-like protease	0.0383	0.1051	0.5751
Brugia malayi	Cathepsin L-like precursor	0.0383	0.1051	0.3457
Entamoeba histolytica	cysteine protease, putative	0.021	0.0465	0.4054
Echinococcus granulosus	aminopeptidase N	0.0292	0.0742	0.2375
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0383	0.1051	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0383	0.1051	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0092	0.0065	0.0221
Entamoeba histolytica	cysteine proteinase, putative	0.021	0.0465	0.4054
Leishmania major	cathepsin L-like protease	0.0383	0.1051	0.5751
Leishmania major	cathepsin L-like protease	0.0383	0.1051	0.5751
Trypanosoma cruzi	cruzipain precursor, putative	0.0118	0.0153	0.0524
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0383	0.1051	1
Leishmania major	cathepsin L-like protease	0.0383	0.1051	0.5751
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0383	0.1051	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0383	0.1051	0.5751
Entamoeba histolytica	cysteine protease, putative	0.021	0.0465	0.4054
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0383	0.1051	0.3602
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0383	0.1051	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0383	0.1051	1
Entamoeba histolytica	cysteine proteinase, putative	0.021	0.0465	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0383	0.1051	0.5751
Trypanosoma cruzi	cysteine peptidase, putative	0.021	0.0465	0.1592
Echinococcus multilocularis	cysteine protease	0.0383	0.1051	0.3602
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0112	0.0134	0.0459
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0383	0.1051	1
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0092	0.0065	0.0065
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0383	0.1051	0.3457
Mycobacterium ulcerans	aminopeptidase N PepN	0.0112	0.0134	0.5
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0065	0.0221
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0383	0.1051	0.5751
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0112	0.0134	0.0459
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0352	0.0947	0.5099
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0352	0.0947	0.5099
Schistosoma mansoni	family S28 unassigned peptidase (S28 family)	0.0826	0.2556	0.2556
Plasmodium vivax	vivapain-2	0.0383	0.1051	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0383	0.1051	1
Brugia malayi	Cathepsin L-like precursor	0.0383	0.1051	0.3457
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0383	0.1051	1
Brugia malayi	Cathepsin L-like precursor	0.0383	0.1051	0.3457
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0383	0.1051	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.021	0.0465	0.0465
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0352	0.0947	0.0947
Loa Loa (eye worm)	prolyl oligopeptidase	0.0298	0.0763	0.2616
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0112	0.0134	0.0459
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.021	0.0465	0.1592
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0112	0.0134	0.0459
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0112	0.0134	0.0459
Trypanosoma cruzi	cysteine proteinase, putative	0.021	0.0465	0.1592
Echinococcus multilocularis	cathepsin L	0.021	0.0465	0.1592
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0383	0.1051	0.5751
Schistosoma mansoni	cathepsin S (C01 family)	0.0092	0.0065	0.0065
Onchocerca volvulus		0.0292	0.0742	0.687
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0298	0.0763	0.2616
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0265	0.0651	0.2232
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.021	0.0465	0.2073
Echinococcus granulosus	cathepsin l1	0.0265	0.0651	0.2056
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0092	0.0065	0.0065
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0092	0.0065	0.0065
Brugia malayi	Papain family cysteine protease containing protein	0.021	0.0465	0.1402
Plasmodium vivax	unspecified product	0.021	0.0465	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0933	0.2918	0.2918
Onchocerca volvulus		0.0383	0.1051	1
Onchocerca volvulus	Cathepsin F homolog	0.0383	0.1051	1
Brugia malayi	hypothetical protein	0.0112	0.0134	0.0243
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0933	0.2918	0.2918
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0383	0.1051	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0383	0.1051	0.5751
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0112	0.0134	0.0459
Loa Loa (eye worm)	hypothetical protein	0.0383	0.1051	0.3602
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0118	0.0153	0.031
Loa Loa (eye worm)	cathepsin B	0.0352	0.0947	0.3246
Entamoeba histolytica	cysteine protease, putative	0.021	0.0465	0.4054
Onchocerca volvulus		0.0265	0.0651	0.5946
Loa Loa (eye worm)	hypothetical protein	0.0265	0.0651	0.2232
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0582	0.1729	0.5924
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.021	0.0465	0.0465
Trypanosoma cruzi	cysteine peptidase, putative	0.0383	0.1051	0.3602
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0112	0.0134	0.0243
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0383	0.1051	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0112	0.0134	0.0459
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0092	0.0065	0.0065
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0298	0.0763	0.7084
Brugia malayi	Cathepsin L-like precursor	0.0383	0.1051	0.3457
Leishmania major	cathepsin L-like protease	0.0383	0.1051	0.5751
Schistosoma mansoni	cathepsin s	0.0118	0.0153	0.0153
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0383	0.1051	1
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0065	0.0221
Plasmodium vivax	vivapain-3	0.021	0.0465	0.4054
Onchocerca volvulus		0.0383	0.1051	1
Echinococcus multilocularis	Lysosomal Pro X carboxypeptidase	0.0826	0.2556	0.876
Entamoeba histolytica	cysteine protease, putative	0.021	0.0465	0.4054
Brugia malayi	prolyl oligopeptidase family protein	0.0582	0.1729	0.5832
Onchocerca volvulus	Cathepsin L homolog	0.0383	0.1051	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0118	0.0153	0.0524
Loa Loa (eye worm)	fibroinase	0.0383	0.1051	0.3602
Toxoplasma gondii	cathepsin CPL	0.0383	0.1051	1
Loa Loa (eye worm)	hypothetical protein	0.0933	0.2918	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0383	0.1051	0.5751
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0383	0.1051	1
Echinococcus granulosus	cathepsin L	0.021	0.0465	0.1402
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0112	0.0134	0.0702
Entamoeba histolytica	cysteine proteinase, putative	0.0383	0.1051	1
Onchocerca volvulus		0.0383	0.1051	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0383	0.1051	0.3602
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0153	0.0524
Echinococcus multilocularis	cathepsin L cysteine protease	0.0383	0.1051	0.3602
Schistosoma mansoni	cathepsin C	0.0092	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0228	0.0525	0.18
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0352	0.0947	0.8946
Entamoeba histolytica	cysteine proteinase, putative	0.0383	0.1051	1
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0582	0.1729	0.5832
Entamoeba histolytica	cysteine proteinase, putative	0.0265	0.0651	0.5946
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0153	0.0524
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0298	0.0763	0.2449
Echinococcus granulosus	cathepsin b	0.0933	0.2918	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0383	0.1051	0.5751
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0219	0.0495	0.1698
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0383	0.1051	0.3457
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0065	0.0221
Trypanosoma cruzi	major cysteine proteinase, putative	0.0092	0.0065	0.0221
Echinococcus granulosus	cathepsin L cysteine protease	0.021	0.0465	0.1402
Entamoeba histolytica	cysteine proteinase, putative	0.021	0.0465	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.021	0.0465	0.1402
Echinococcus multilocularis	cathepsin b	0.0933	0.2918	1
Trypanosoma cruzi	aminopeptidase, putative	0.0112	0.0134	0.0459
Trypanosoma cruzi	cysteine peptidase, putative	0.0383	0.1051	0.3602
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0112	0.0134	0.0243
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0582	0.1729	1
Echinococcus multilocularis	cathepsin L	0.0092	0.0065	0.0221
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0265	0.0651	0.5946
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0383	0.1051	1
Loa Loa (eye worm)	hypothetical protein	0.0265	0.0651	0.2232
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0383	0.1051	1
Brugia malayi	prolyl oligopeptidase family protein	0.0298	0.0763	0.2449
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0112	0.0134	0.0243
Trypanosoma cruzi	cysteine protease, putative	0.021	0.0465	0.1592
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0933	0.2918	1
Loa Loa (eye worm)	hypothetical protein	0.0265	0.0651	0.2232
Loa Loa (eye worm)	ctsf protein	0.0383	0.1051	0.3602
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0383	0.1051	0.5751
Plasmodium vivax	unspecified product	0.0118	0.0153	0.0896
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0383	0.1051	1
Onchocerca volvulus		0.0383	0.1051	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0383	0.1051	0.3602
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0933	0.2918	0.2918
Entamoeba histolytica	cysteine protease, putative	0.0383	0.1051	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0265	0.0651	0.2056
Entamoeba histolytica	aminopeptidase, putative	0.0112	0.0134	0.0702
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0065	0.0221
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0112	0.0134	0.0459
Entamoeba histolytica	cysteine protease, putative	0.021	0.0465	0.4054
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0582	0.1729	1
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0153	0.0524
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0092	0.0065	0.0065
Leishmania major	cathepsin L-like protease	0.0383	0.1051	0.5751
Onchocerca volvulus		0.0383	0.1051	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.021	0.0465	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0383	0.1051	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 13 uM	Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 27 microM concentration	ChEMBL.	1578486
IC50 (binding)	= 13 uM	Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 27 microM concentration	ChEMBL.	1578486
Inhibition (binding)	%	Inhibitory activity of the compound against Porcine Pancreatic Elastase (PPE) at 27 microM concentration; NI = no inhibition	ChEMBL.	1578486
Inhibition (binding)	0 %	Inhibitory activity of the compound against Porcine Pancreatic Elastase (PPE) at 27 microM concentration; NI = no inhibition	ChEMBL.	1578486
Inhibition (binding)	= 4 %	Inhibitory activity of the compound against Cathepsin G (CatG) at 27 microM concentration	ChEMBL.	1578486
Inhibition (binding)	= 4 %	Inhibitory activity of the compound against Cathepsin G (CatG) at 27 microM concentration	ChEMBL.	1578486
Inhibition (binding)	= 7 %	Inhibitory activity of the compound against Chymotrypsinogen at 27 microM concentration	ChEMBL.	1578486
Inhibition (binding)	= 7 %	Inhibitory activity of the compound against Chymotrypsinogen at 27 microM concentration	ChEMBL.	1578486
Inhibition (binding)	= 80 %	Inhibitory activity of the compound against Human Leukocyte Elastase (HLE) at 27 microM concentration	ChEMBL.	1578486
Inhibition (binding)	= 80 %	Inhibitory activity of the compound against Human Leukocyte Elastase (HLE) at 27 microM concentration	ChEMBL.	1578486

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.

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External resources for this compound

ChEMBL: CHEMBL41539

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 56570