TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 352.531 | Formula: C20H32O3S
H donors: 1 H acceptors: 2 LogP: 4.57 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CCC/C=C\CSCC1C2CCC(C1C/C=C\CCCC(=O)O)O2
InChi: 1S/C20H32O3S/c1-2-3-4-9-14-24-15-17-16(18-12-13-19(17)23-18)10-7-5-6-8-11-20(21)22/h4-5,7,9,16-19H,2-3,6,8,10-15H2,1H3,(H,21,22)/b7-5-,9-4-
InChiKey: QXBFRDGMYMBQMJ-IYZMWBIUSA-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	thromboxane A2 receptor	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0054	0.1526	0.1355
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.003	0.0605	0.1434
Leishmania major	cathepsin L-like protease	0.003	0.0605	0.1992
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.003	0.0605	0.1434
Onchocerca volvulus		0.003	0.0605	0.666
Echinococcus multilocularis	calpain family protein 1, d	0.0039	0.0979	0.0797
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0093	0.3037	0.2897
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.003	0.0605	0.1434
Entamoeba histolytica	cysteine protease, putative	0.0019	0.0198	0.3266
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.003	0.0605	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0023	0.0327	0.0132
Entamoeba histolytica	cysteine protease, putative	0.0019	0.0198	0.3266
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0235	0.0235
Onchocerca volvulus		0.003	0.0605	0.666
Leishmania major	cysteine peptidase A (CPA)	0.003	0.0605	0.1992
Onchocerca volvulus		0.003	0.0605	0.666
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.003	0.0605	0.1992
Onchocerca volvulus		0.003	0.0605	0.666
Loa Loa (eye worm)	cathepsin B	0.0093	0.3037	0.3037
Trypanosoma cruzi	cysteine proteinase, putative	0.0019	0.0198	0.0198
Leishmania major	cathepsin L-like protease	0.003	0.0605	0.1992
Trypanosoma cruzi	cysteine protease, putative	0.0019	0.0198	0.0198
Schistosoma mansoni	calpain-7 (C02 family)	0.002	0.0235	0.0038
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0019	0.0198	0.065
Schistosoma mansoni	calpain (C02 family)	0.002	0.0235	0.0038
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0235	0.0235
Echinococcus multilocularis	calpain 7 (C02 family)	0.002	0.0235	0.0038
Brugia malayi	Cathepsin L-like precursor	0.003	0.0605	0.0605
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.003	0.0605	0.1434
Entamoeba histolytica	cysteine protease, putative	0.003	0.0605	1
Leishmania major	cathepsin L-like protease	0.003	0.0605	0.1992
Loa Loa (eye worm)	fibroinase	0.003	0.0605	0.0605
Entamoeba histolytica	cysteine proteinase 1, putative	0.0019	0.0198	0.3266
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.003	0.0605	0.1992
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.003	0.0605	0.1434
Brugia malayi	Cathepsin L-like precursor	0.003	0.0605	0.0605
Leishmania major	cathepsin L-like protease	0.003	0.0605	0.1992
Entamoeba histolytica	cysteine protease, putative	0.0019	0.0198	0.3266
Echinococcus multilocularis	cysteine protease	0.003	0.0605	0.0416
Onchocerca volvulus	Cathepsin L homolog	0.003	0.0605	0.666
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.003	0.0605	0.0416
Entamoeba histolytica	cysteine protease, putative	0.0019	0.0198	0.3266
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.003	0.0605	0.1434
Plasmodium vivax	vivapain-2	0.003	0.0605	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1526	0.1526
Entamoeba histolytica	cysteine protease, putative	0.0019	0.0198	0.3266
Brugia malayi	calpain family protein 1	0.0054	0.1526	0.1526
Entamoeba histolytica	cysteine protease, putative	0.0019	0.0198	0.3266
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.003	0.0605	0.1992
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.003	0.0605	0.1992
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1291	0.1291
Brugia malayi	Cathepsin L-like precursor	0.003	0.0605	0.0605
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.003	0.0605	0.1434
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.003	0.0605	0.0605
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.003	0.0605	0.1434
Trypanosoma cruzi	cysteine peptidase, putative	0.003	0.0605	0.0605
Onchocerca volvulus		0.003	0.0605	0.666
Onchocerca volvulus		0.0033	0.0744	1
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.0198	0.3266
Echinococcus granulosus	calpain 5	0.002	0.0235	0.0038
Trypanosoma brucei	calpain-like protein, putative	0.002	0.0235	0.0774
Brugia malayi	calpain family protein 1	0.0054	0.1526	0.1526
Echinococcus granulosus	calpain A	0.002	0.0235	0.0038
Entamoeba histolytica	cysteine protease, putative	0.0019	0.0198	0.3266
Echinococcus granulosus	cathepsin l cysteine peptidase	0.003	0.0605	0.0416
Entamoeba histolytica	cysteine protease, putative	0.0019	0.0198	0.3266
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.003	0.0605	1
Brugia malayi	Cathepsin L-like precursor	0.003	0.0605	0.0605
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.003	0.0605	0.0416
Schistosoma mansoni	cathepsin F (C01 family)	0.003	0.0605	0.0416
Giardia lamblia	Cathepsin B precursor	0.0093	0.3037	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.003	0.0605	0.1434
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0235	0.0235
Loa Loa (eye worm)	calpain	0.002	0.0235	0.0235
Trypanosoma cruzi	cysteine peptidase, putative	0.0019	0.0198	0.0198
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.002	0.0235	0.0774
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0327	0.0327
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0272	1	1
Echinococcus granulosus	cathepsin b	0.0272	1	1
Brugia malayi	cathepsin L-like precursor	0.0023	0.0327	0.0327
Giardia lamblia	Cathepsin B precursor	0.0093	0.3037	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.003	0.0605	0.0605
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.002	0.0235	0.0235
Trypanosoma brucei	antigen, putative	0.002	0.0235	0.0774
Entamoeba histolytica	cysteine proteinase, putative	0.003	0.0605	1
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0056	0.162	0.1451
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.003	0.0605	0.1992
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0235	0.0235
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0327	0.0456
Onchocerca volvulus	Cathepsin F homolog	0.003	0.0605	0.666
Schistosoma mansoni	cathepsin F (C01 family)	0.003	0.0605	0.0416
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.0198	0.3266
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.003	0.0605	0.1992
Echinococcus granulosus	calpain	0.002	0.0235	0.0038
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.0198	0.3266
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0093	0.3037	0.3037
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0056	0.162	0.1451
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0019	0.0198	0.065
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0272	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.003	0.0605	0.1434
Trypanosoma cruzi	cysteine proteinase, putative	0.0019	0.0198	0.0198
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.003	0.0605	0.1434
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.002	0.0235	0.0774
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0272	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0272	1	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0327	0.0327
Trypanosoma brucei	calpain-like protein, putative	0.002	0.0235	0.0774
Loa Loa (eye worm)	calpain family protein 1	0.0039	0.0979	0.0979
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0744	0.0744
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.003	0.0605	0.1434
Entamoeba histolytica	cysteine protease, putative	0.0019	0.0198	0.3266
Brugia malayi	Cathepsin L-like precursor	0.003	0.0605	0.0605
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.003	0.0605	0.1434
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.003	0.0605	0.1434
Loa Loa (eye worm)	ctsf protein	0.003	0.0605	0.0605
Brugia malayi	Cathepsin L-like precursor	0.003	0.0605	0.0605
Onchocerca volvulus		0.003	0.0605	0.666
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0235	0.0235
Entamoeba histolytica	cysteine proteinase, putative	0.003	0.0605	1
Echinococcus multilocularis	calpain	0.002	0.0235	0.0038
Leishmania major	cathepsin L-like protease	0.003	0.0605	0.1992
Echinococcus granulosus	cathepsin L cysteine proteinase	0.003	0.0605	0.0416
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.003	0.0605	0.1434
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0093	0.3037	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.003	0.0605	1
Echinococcus multilocularis	calpain A	0.0056	0.162	0.1451
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.003	0.0605	0.1992
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.002	0.0235	0.0774
Echinococcus granulosus	calpain A	0.0056	0.162	0.1451
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0235	0.0774
Giardia lamblia	Cathepsin B precursor	0.0093	0.3037	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.003	0.0605	0.1434
Plasmodium vivax	vivapain-2	0.003	0.0605	1
Schistosoma mansoni	calpain-7 (C02 family)	0.002	0.0235	0.0038
Loa Loa (eye worm)	cysteine protease	0.003	0.0605	0.0605
Trypanosoma cruzi	cruzipain precursor, putative	0.003	0.0605	0.0605
Echinococcus granulosus	calpain 7 C02 family	0.002	0.0235	0.0038
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.003	0.0605	0.1992
Loa Loa (eye worm)	hypothetical protein	0.003	0.0605	0.0605
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.003	0.0605	0.1434
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0327	0.0327
Entamoeba histolytica	cysteine proteinase, putative	0.0023	0.0327	0.5409
Leishmania major	cathepsin L-like protease	0.003	0.0605	0.1992
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0093	0.3037	1
Echinococcus granulosus	cathepsin l1	0.0023	0.0327	0.0132
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.003	0.0605	0.1992
Brugia malayi	calpain 7	0.002	0.0235	0.0235
Trypanosoma brucei	calpain-like protein, putative	0.002	0.0235	0.0774
Schistosoma mansoni	calpain C (C02 family)	0.002	0.0235	0.0038
Trypanosoma brucei	calpain-like protein, putative	0.002	0.0235	0.0774
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.003	0.0605	0.1434
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.003	0.0605	0.1434
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0056	0.162	0.1451
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0019	0.0198	0.0198
Entamoeba histolytica	cysteine protease, putative	0.0019	0.0198	0.3266
Plasmodium vivax	calpain, putative	0.002	0.0235	0.0921
Entamoeba histolytica	cysteine protease, putative	0.0019	0.0198	0.3266
Toxoplasma gondii	cathepsin B	0.0093	0.3037	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.003	0.0605	0.0605
Brugia malayi	Papain family cysteine protease containing protein	0.003	0.0605	0.0605
Loa Loa (eye worm)	calpain family protein 1	0.0054	0.1526	0.1526
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0235	0.0235
Brugia malayi	Papain family cysteine protease containing protein	0.0019	0.0198	0.0198
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0272	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.003	0.0605	0.1434
Leishmania major	cathepsin L-like protease	0.003	0.0605	0.1992
Onchocerca volvulus	Cathepsin L homolog	0.003	0.0605	0.666
Entamoeba histolytica	cysteine protease, putative	0.0019	0.0198	0.3266
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0093	0.3037	1
Echinococcus multilocularis	cysteine protease	0.003	0.0605	0.0416
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0023	0.0327	0.0327
Entamoeba histolytica	cysteine proteinase 2	0.0019	0.0198	0.3266
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.0198	0.3266
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.003	0.0605	0.1434
Trypanosoma cruzi	cysteine peptidase, putative	0.003	0.0605	0.0605
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0023	0.0327	0.0327
Trypanosoma cruzi	cysteine peptidase, putative	0.003	0.0605	0.0605
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.003	0.0605	0.1434
Echinococcus multilocularis	cathepsin L cysteine protease	0.003	0.0605	0.0416
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0235	0.0235
Brugia malayi	Papain family cysteine protease containing protein	0.0019	0.0198	0.0198
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.003	0.0605	0.1434
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.003	0.0605	0.1434
Echinococcus multilocularis	cathepsin L cysteine protease	0.003	0.0605	0.0416
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.002	0.0235	0.0774
Loa Loa (eye worm)	hypothetical protein	0.0272	1	1
Leishmania major	cathepsin L-like protease	0.003	0.0605	0.1992
Echinococcus multilocularis	cathepsin b	0.0272	1	1
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0327	0.0327
Echinococcus multilocularis	cathepsin b	0.0272	1	1
Schistosoma mansoni	Mername-AA248 (C02 family)	0.002	0.0235	0.0038
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.002	0.0235	0.0235
Entamoeba histolytica	cysteine protease, putative	0.0019	0.0198	0.3266
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.003	0.0605	0.1992
Echinococcus multilocularis	hypothetical protein	0.002	0.0235	0.0038
Echinococcus granulosus	cathepsin l1	0.003	0.0605	0.0416
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.003	0.0605	0.1434
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0327	0.0327
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0056	0.162	0.1451
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0979	0.0979
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.003	0.0605	0.1992
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.002	0.0235	0.0235
Echinococcus granulosus	cathepsin b	0.0272	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0327	0.0456
Onchocerca volvulus		0.003	0.0605	0.666
Echinococcus multilocularis	calpain 5	0.002	0.0235	0.0038

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 5.7 uM	In vitro inhibition of arachidonic acid induced platelet aggregation in human platelet-rich plasma	ChEMBL.	2523485

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: CHEMBL2096755

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1661508