TDR Targets

Basic information

Technical information

TDR Targets ID: 1523554
Name: (E)-7-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl -2-[(2,2-dimethylcyclopropanecarbonyl)amino]h ept-2-enoic acid
MW: 358.453 | Formula: C16H26N2O5S
H donors: 4 H acceptors: 5 LogP: -1.04 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C(CSCCCC/C=C(\C(=O)O)/NC(=O)C1CC1(C)C)N
InChi: 1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6+
InChiKey: DHSUYTOATWAVLW-WUXMJOGZSA-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

7-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]hept-2-enoic acid
(E)-7-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]hept-2-enoic acid
7-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-2-[(2,2-dimethylcyclopropanecarbonyl)amino]hept-2-enoic acid
(E)-7-[(2-amino-3-hydroxy-3-oxopropyl)thio]-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]hept-2-enoic acid
7-[(2-amino-3-hydroxy-3-oxopropyl)thio]-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]hept-2-enoic acid
2-amino-3-[[(E)-6-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-hydroxy-7-keto-hept-5-enyl]thio]propionic acid
2-amino-3-[[6-[(2,2-dimethylcyclopropanecarbonyl)amino]-7-hydroxy-7-keto-hept-5-enyl]thio]propionic acid
(E)-7-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-2-[(2,2-dimethylcyclopropyl)carbonylamino]hept-2-enoic acid
7-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-2-[(2,2-dimethylcyclopropyl)carbonylamino]hept-2-enoic acid
78852-98-9
2-Heptenoic acid, 7-((2-amino-2-carboxyethyl)thio)-2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-
7-((2-Amino-2-carboxyethyl)thio)-2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-2-heptenoic acid

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 granulosus	cathepsin b	0.1205	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0404	0.2733	0.8838
Trypanosoma cruzi	cysteine peptidase, putative	0.0404	0.2733	0.2733
Plasmodium vivax	unspecified product	0.0225	0.1108	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0404	0.2733	0.8189
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0404	0.2733	0.8838
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1205	1	1
Brugia malayi	Cathepsin L-like precursor	0.0404	0.2733	0.2733
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0887	0.7112	0.7112
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0404	0.2733	0.2733
Trypanosoma cruzi	cysteine proteinase, putative	0.0225	0.1108	0.1108
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0404	0.2733	0.2733
Onchocerca volvulus		0.0404	0.2733	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0404	0.2733	0.8838
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.1108	0.3583
Entamoeba histolytica	cysteine proteinase, putative	0.0225	0.1108	0.4054
Loa Loa (eye worm)	fibroinase	0.0404	0.2733	0.2733
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0225	0.1108	0.1108
Echinococcus multilocularis	glycogen phosphorylase	0.0107	0.0039	0.0039
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0404	0.2733	0.2733
Plasmodium vivax	vivapain-1	0.0225	0.1108	0.4054
Entamoeba histolytica	cysteine proteinase 2	0.0225	0.1108	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0122	0.018	0.018
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0404	0.2733	0.2733
Entamoeba histolytica	cysteine protease, putative	0.0225	0.1108	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0404	0.2733	0.2733
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0404	0.2733	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0404	0.2733	0.2733
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0443	0.3093	0.3093
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0404	0.2733	0.8189
Entamoeba histolytica	cysteine proteinase, putative	0.0225	0.1108	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0404	0.2733	0.8838
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1205	1	1
Loa Loa (eye worm)	glycogen phosphorylase	0.0107	0.0039	0.0039
Entamoeba histolytica	cysteine proteinase, putative	0.0404	0.2733	1
Onchocerca volvulus		0.0404	0.2733	1
Entamoeba histolytica	cysteine protease, putative	0.0225	0.1108	0.4054
Schistosoma mansoni	cathepsin F (C01 family)	0.0404	0.2733	0.2733
Toxoplasma gondii	cathepsin B	0.0443	0.3093	1
Giardia lamblia	Cathepsin B precursor	0.0443	0.3093	1
Onchocerca volvulus		0.0404	0.2733	1
Entamoeba histolytica	cysteine protease, putative	0.0225	0.1108	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0404	0.2733	0.8838
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0107	0.0039	0.0127
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0443	0.3093	1
Entamoeba histolytica	cysteine protease, putative	0.0225	0.1108	0.4054
Giardia lamblia	Cathepsin B precursor	0.0443	0.3093	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0404	0.2733	0.8838
Brugia malayi	Cathepsin L-like precursor	0.0404	0.2733	0.2733
Echinococcus granulosus	glycogen phosphorylase	0.0107	0.0039	0.0039
Trypanosoma cruzi	cysteine peptidase, putative	0.0404	0.2733	0.2733
Echinococcus multilocularis	cathepsin L cysteine protease	0.0404	0.2733	0.2733
Plasmodium vivax	vivapain-2	0.0404	0.2733	1
Entamoeba histolytica	glycogen phosphorylase, putative	0.0107	0.0039	0.0144
Loa Loa (eye worm)	ctsf protein	0.0404	0.2733	0.2733
Loa Loa (eye worm)	hypothetical protein	0.0122	0.018	0.018
Onchocerca volvulus		0.0404	0.2733	1
Chlamydia trachomatis	dipeptidase	0.0549	0.4052	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0443	0.3093	0.3093
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0404	0.2733	0.8189
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0225	0.1108	0.1108
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0225	0.1108	0.1108
Entamoeba histolytica	cysteine protease, putative	0.0225	0.1108	0.4054
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0107	0.0039	0.0127
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0404	0.2733	0.8838
Loa Loa (eye worm)	hypothetical protein	0.0282	0.1625	0.1625
Entamoeba histolytica	cysteine proteinase, putative	0.0282	0.1625	0.5946
Schistosoma mansoni	cathepsin s	0.0122	0.018	0.018
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1205	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0404	0.2733	0.2733
Echinococcus multilocularis	cathepsin b	0.1205	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0404	0.2733	0.8838
Plasmodium vivax	vivapain-2	0.0404	0.2733	1
Brugia malayi	carbohydrate phosphorylase	0.0107	0.0039	0.0039
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0404	0.2733	0.8838
Toxoplasma gondii	cathepsin CPL	0.0404	0.2733	0.8838
Trypanosoma cruzi	cysteine protease, putative	0.0225	0.1108	0.1108
Echinococcus multilocularis	cysteine protease	0.0404	0.2733	0.2733
Echinococcus granulosus	Glycosyl transferase family 35	0.0107	0.0039	0.0039
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0225	0.1108	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0225	0.1108	0.4054
Schistosoma mansoni	glycogen phosphorylase	0.0107	0.0039	0.0039
Brugia malayi	Cathepsin L-like precursor	0.0282	0.1625	0.1625
Onchocerca volvulus	Cathepsin L homolog	0.0404	0.2733	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0404	0.2733	0.8838
Trypanosoma cruzi	cysteine proteinase, putative	0.0225	0.1108	0.1108
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0404	0.2733	0.8838
Plasmodium vivax	vivapain-3	0.0225	0.1108	0.4054
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0404	0.2733	0.2733
Echinococcus granulosus	cathepsin l1	0.0404	0.2733	0.2733
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1205	1	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0225	0.1108	0.1108
Trypanosoma cruzi	cruzipain precursor, putative	0.0122	0.018	0.018
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0404	0.2733	0.8838
Brugia malayi	Papain family cysteine protease containing protein	0.0225	0.1108	0.1108
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0282	0.1625	0.1625
Echinococcus multilocularis	cathepsin L cysteine protease	0.0404	0.2733	0.2733
Onchocerca volvulus	Cathepsin F homolog	0.0404	0.2733	1
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0107	0.0039	0.0144
Brugia malayi	Cathepsin L-like precursor	0.0404	0.2733	0.2733
Trypanosoma cruzi	cysteine peptidase, putative	0.0404	0.2733	0.2733
Echinococcus granulosus	glycogen phosphorylase	0.0107	0.0039	0.0039
Echinococcus multilocularis	cysteine protease	0.0404	0.2733	0.2733
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0282	0.1625	0.5255
Entamoeba histolytica	cysteine proteinase, putative	0.0404	0.2733	1
Echinococcus granulosus	cathepsin l1	0.0282	0.1625	0.1625
Entamoeba histolytica	cysteine protease, putative	0.0225	0.1108	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0404	0.2733	0.8838
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0404	0.2733	0.8189
Echinococcus granulosus	cathepsin L	0.0225	0.1108	0.1108
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0404	0.2733	0.8189
Onchocerca volvulus		0.0404	0.2733	1
Giardia lamblia	Cathepsin B precursor	0.0443	0.3093	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0225	0.1108	0.3583
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0404	0.2733	0.8838
Brugia malayi	Cathepsin L-like precursor	0.0404	0.2733	0.2733
Brugia malayi	Cathepsin L-like precursor	0.0282	0.1625	0.1625
Loa Loa (eye worm)	hypothetical protein	0.0122	0.018	0.018
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0282	0.1625	0.1625
Entamoeba histolytica	cysteine protease, putative	0.0225	0.1108	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0122	0.018	0.018
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0404	0.2733	0.8189
Entamoeba histolytica	cysteine protease, putative	0.0225	0.1108	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.0225	0.1108	0.1108
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0282	0.1625	0.5255
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0404	0.2733	0.8838
Plasmodium vivax	unspecified product	0.0122	0.018	0.066
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0404	0.2733	0.8189
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0404	0.2733	0.8838
Onchocerca volvulus		0.0282	0.1625	0.5946
Loa Loa (eye worm)	hypothetical protein	0.0282	0.1625	0.1625
Entamoeba histolytica	glycogen phosphorylase, putative	0.0107	0.0039	0.0144
Brugia malayi	cathepsin L-like precursor	0.0282	0.1625	0.1625
Schistosoma mansoni	cathepsin F (C01 family)	0.0282	0.1625	0.1625
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0107	0.0039	0.0039
Brugia malayi	Cathepsin L-like precursor	0.0404	0.2733	0.2733
Schistosoma mansoni	glycogen phosphorylase	0.0107	0.0039	0.0039
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0404	0.2733	0.8838
Entamoeba histolytica	cysteine proteinase 1, putative	0.0225	0.1108	0.4054
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0122	0.018	0.018
Mycobacterium ulcerans	hypothetical protein	0.0549	0.4052	0.5
Onchocerca volvulus		0.0404	0.2733	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0404	0.2733	0.8189
Entamoeba histolytica	cysteine protease, putative	0.0404	0.2733	1
Entamoeba histolytica	cysteine proteinase, putative	0.0225	0.1108	0.4054
Giardia lamblia	Glycogen phosphorylase	0.0107	0.0039	0.0127
Brugia malayi	Cathepsin L-like precursor	0.0404	0.2733	0.2733
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0404	0.2733	0.8838
Echinococcus granulosus	cathepsin b	0.1205	1	1
Loa Loa (eye worm)	hypothetical protein	0.1205	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0404	0.2733	0.8838
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0404	0.2733	1
Onchocerca volvulus		0.0404	0.2733	1
Echinococcus multilocularis	glycogen phosphorylase	0.0107	0.0039	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0122	0.018	0.018
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0404	0.2733	0.8838
Entamoeba histolytica	cysteine proteinase, putative	0.0225	0.1108	0.4054
Brugia malayi	cathepsin F-like cysteine proteinase	0.0122	0.018	0.018
Loa Loa (eye worm)	cysteine protease	0.0404	0.2733	0.2733
Onchocerca volvulus	Cathepsin L homolog	0.0404	0.2733	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0404	0.2733	0.8838
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0443	0.3093	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0404	0.2733	0.2733
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0443	0.3093	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0404	0.2733	0.8189
Trypanosoma cruzi	cruzipain precursor, putative	0.0404	0.2733	0.2733
Trypanosoma cruzi	cysteine peptidase, putative	0.0225	0.1108	0.1108
Entamoeba histolytica	cysteine protease, putative	0.0225	0.1108	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0404	0.2733	0.8838
Entamoeba histolytica	cysteine protease, putative	0.0225	0.1108	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0404	0.2733	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0404	0.2733	0.8838
Loa Loa (eye worm)	hypothetical protein	0.0282	0.1625	0.1625
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0404	0.2733	0.8189
Entamoeba histolytica	cysteine protease, putative	0.0225	0.1108	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0225	0.1108	0.4054
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1205	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0404	0.2733	0.2733
Loa Loa (eye worm)	cathepsin B	0.0443	0.3093	0.3093
Echinococcus multilocularis	cathepsin L	0.0225	0.1108	0.1108
Echinococcus multilocularis	cathepsin b	0.1205	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0404	0.2733	0.8189
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0122	0.018	0.018
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0404	0.2733	0.8838
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0404	0.2733	0.8838
Echinococcus granulosus	cysteine protease	0.0225	0.1108	0.1108
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0225	0.1108	0.1108

Activities

No activities found for this compound.

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: CHEMBL1741033

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1523554