TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 422.54 | Formula: C24H26N2O3S
H donors: 0 H acceptors: 2 LogP: 3.82 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cccnc1)N(Cc1cccc(c1)OCCc1cscc1)CC1CCCO1
InChi: 1S/C24H26N2O3S/c27-24(21-5-2-10-25-15-21)26(17-23-7-3-11-28-23)16-20-4-1-6-22(14-20)29-12-8-19-9-13-30-18-19/h1-2,4-6,9-10,13-15,18,23H,3,7-8,11-12,16-17H2
InChiKey: CAOCPXIYJPDRMM-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0049	0.1064	0.696
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0199
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.1064	0.8106
Brugia malayi	calpain family protein 1	0.0053	0.1295	0.1802
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0049	0.1064	0.8106
Brugia malayi	Cathepsin L-like precursor	0.0049	0.1064	0.1482
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0058	0.1529	1
Loa Loa (eye worm)	calpain family protein 1	0.0039	0.0601	0.0433
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.0339	0.3182
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0919	0.128
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.1064	0.8106
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0919	0.0896
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0049	0.1064	0.8106
Entamoeba histolytica	cysteine proteinase, putative	0.0049	0.1064	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0049	0.1064	0.696
Loa Loa (eye worm)	ctsf protein	0.0049	0.1064	0.1107
Onchocerca volvulus		0.0036	0.0439	0.0199
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0034	0.0339	0.0471
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0054	0.1313	0.1828
Brugia malayi	beta-lactamase family protein	0.0036	0.0439	0.0612
Echinococcus granulosus	calpain A	0.0056	0.1414	0.1968
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0199
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0439	0.5
Brugia malayi	beta-lactamase family protein	0.0036	0.0439	0.0612
Brugia malayi	Cathepsin L-like precursor	0.0049	0.1064	0.1482
Brugia malayi	cathepsin B-like cysteine proteinase	0.0146	0.5866	0.8166
Echinococcus granulosus	cathepsin l1	0.0034	0.0339	0.0471
Loa Loa (eye worm)	prolyl oligopeptidase	0.0172	0.7184	1
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0058	0.1529	0.2129
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0439	0.0199
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.1064	0.8106
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0919	0.128
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0172	0.7184	1
Onchocerca volvulus		0.0049	0.1064	0.1107
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0172	0.7184	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0049	0.1064	0.1482
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0049	0.1064	0.1482
Brugia malayi	prolyl oligopeptidase family protein	0.0172	0.7184	1
Onchocerca volvulus		0.0036	0.0439	0.0199
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0919	0.128
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0049	0.1064	0.696
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0058	0.1529	1
Leishmania major	cathepsin L-like protease	0.0049	0.1064	0.5735
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0439	0.0612
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0049	0.1064	0.696
Loa Loa (eye worm)	cathepsin B	0.0054	0.1313	0.1468
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0919	0.128
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0058	0.1529	0.2129
Brugia malayi	calpain family protein 1	0.0053	0.1295	0.1802
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.1064	0.8106
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0439	0.0749
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0058	0.1529	0.2607
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0049	0.1064	0.1482
Leishmania major	cathepsin L-like protease	0.0049	0.1064	0.5735
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0199
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0439	0.0612
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0439	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0339	0.2579
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.1064	0.8106
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0439	0.5
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0049	0.1064	0.1482
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0049	0.1064	0.696
Echinococcus multilocularis	cysteine protease	0.0049	0.1064	0.1482
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0056	0.1414	0.1968
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0049	0.1064	0.8106
Echinococcus granulosus	cathepsin b	0.0146	0.5866	0.8166
Echinococcus multilocularis	calpain A	0.0056	0.1414	0.1968
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.1064	0.8106
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0049	0.1064	0.696
Leishmania major	cysteine peptidase A (CPA)	0.0049	0.1064	0.5735
Trichomonas vaginalis	esterase, putative	0.0036	0.0439	0.3346
Leishmania major	cathepsin L-like protease	0.0049	0.1064	0.5735
Toxoplasma gondii	cathepsin B	0.0054	0.1313	0.8016
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0049	0.1064	0.8106
Brugia malayi	Cathepsin L-like precursor	0.0034	0.0339	0.0471
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0439	0.3346
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0058	0.1529	0.2607
Brugia malayi	Cathepsin L-like precursor	0.0049	0.1064	0.1482
Leishmania major	cathepsin L-like protease	0.0049	0.1064	0.5735
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0056	0.1414	0.1968
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0439	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0339	0.2579
Trypanosoma cruzi	cysteine peptidase, putative	0.0049	0.1064	0.1814
Leishmania major	cathepsin L-like protease	0.0049	0.1064	0.5735
Onchocerca volvulus		0.0049	0.1064	0.1107
Onchocerca volvulus	Cathepsin F homolog	0.0049	0.1064	0.1107
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0056	0.1414	0.1968
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0049	0.1064	0.1107
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1295	0.1441
Loa Loa (eye worm)	cysteine protease	0.0049	0.1064	0.1107
Onchocerca volvulus		0.0049	0.1064	0.1107
Mycobacterium ulcerans	lipase LipD	0.0036	0.0439	0.5
Leishmania major	cathepsin L-like protease	0.0049	0.1064	0.5735
Onchocerca volvulus		0.0049	0.1064	0.1107
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0049	0.1064	1
Brugia malayi	cathepsin L-like precursor	0.0034	0.0339	0.0471
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0049	0.1064	0.8106
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0339	0.0052
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0049	0.1064	0.8106
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0199
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0054	0.1313	0.2238
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.1064	0.8106
Giardia lamblia	Cathepsin B precursor	0.0054	0.1313	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0439	0.0612
Schistosoma mansoni	cathepsin F (C01 family)	0.0049	0.1064	0.1482
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0054	0.1313	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0146	0.5866	0.8166
Echinococcus multilocularis	cathepsin L cysteine protease	0.0049	0.1064	0.1482
Brugia malayi	Cathepsin L-like precursor	0.0049	0.1064	0.1482
Echinococcus multilocularis	cathepsin L cysteine protease	0.0049	0.1064	0.1482
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0049	0.1064	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0049	0.1064	0.696
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0339	0.0052
Brugia malayi	Cathepsin L-like precursor	0.0034	0.0339	0.0471
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0439	0.2873
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.1064	0.8106
Loa Loa (eye worm)	calpain family protein 1	0.0053	0.1295	0.1441
Onchocerca volvulus		0.0049	0.1064	0.1107
Onchocerca volvulus		0.0049	0.1064	0.1107
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.1064	0.8106
Onchocerca volvulus		0.0034	0.0339	0.0052
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0919	0.128
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0056	0.1414	0.1968
Onchocerca volvulus	Cathepsin L homolog	0.0049	0.1064	0.1107
Trypanosoma cruzi	cysteine peptidase, putative	0.0049	0.1064	0.1814
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0172	0.7184	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0339	0.0052
Entamoeba histolytica	cysteine protease, putative	0.0049	0.1064	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0054	0.1313	0.8016
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0058	0.1529	0.2129
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0996	0.1008
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0049	0.1064	0.8106
Trypanosoma cruzi	cysteine peptidase, putative	0.0049	0.1064	0.1814
Echinococcus granulosus	cathepsin b	0.0146	0.5866	0.8166
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0439	0.4128
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0919	0.128
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.1064	0.8106
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0049	0.1064	0.696
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0439	0.5
Toxoplasma gondii	cathepsin CPL	0.0049	0.1064	0.5735
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0146	0.5866	0.8166
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0049	0.1064	0.1107
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0172	0.7184	1
Leishmania major	cathepsin L-like protease	0.0049	0.1064	0.5735
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0439	0.0199
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0439	0.3346
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0439	0.3346
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0146	0.5866	0.8166
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0049	0.1064	0.8106
Echinococcus multilocularis	calpain family protein 1, d	0.0039	0.0601	0.0837
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0049	0.1064	0.8106
Brugia malayi	Papain family cysteine protease containing protein	0.0049	0.1064	0.1482
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0601	0.0433
Giardia lamblia	Cathepsin B precursor	0.0054	0.1313	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0049	0.1064	0.696
Brugia malayi	prolyl oligopeptidase family protein	0.0058	0.1529	0.2129
Brugia malayi	Cathepsin L-like precursor	0.0049	0.1064	0.1482
Echinococcus multilocularis	cathepsin b	0.0146	0.5866	0.8166
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0049	0.1064	0.8106
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0919	0.128
Echinococcus granulosus	cathepsin l1	0.0049	0.1064	0.1482
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.1064	0.8106
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0146	0.5866	1
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0058	0.1529	1
Brugia malayi	hypothetical protein	0.0044	0.0854	0.1189
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0919	0.128
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0049	0.1064	0.696
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0146	0.5866	0.8166
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0054	0.1313	0.8586
Giardia lamblia	Cathepsin B precursor	0.0054	0.1313	0.5
Leishmania major	cathepsin L-like protease	0.0049	0.1064	0.5735
Schistosoma mansoni	cathepsin F (C01 family)	0.0034	0.0339	0.0471
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0049	0.1064	0.1482
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.1064	0.8106
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.1064	0.8106
Brugia malayi	beta-lactamase	0.0036	0.0439	0.0612
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0053	0.1295	0.1802
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0049	0.1064	0.8106
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1064	0.1107
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0439	0.5
Trypanosoma cruzi	cruzipain precursor, putative	0.0049	0.1064	0.1814
Entamoeba histolytica	cysteine proteinase, putative	0.0049	0.1064	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0439	0.0612
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0854	0.0801
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0439	0.0612
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0034	0.0339	0.0577
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0439	0.0199
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0058	0.1529	1
Loa Loa (eye worm)	fibroinase	0.0049	0.1064	0.1107
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0049	0.1064	0.8106
Echinococcus multilocularis	cathepsin b	0.0146	0.5866	0.8166
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0439	0.0749
Onchocerca volvulus		0.0036	0.0439	0.0199
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0439	0.3346
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0439	0.3346
Brugia malayi	Cathepsin L-like precursor	0.0049	0.1064	0.1482
Echinococcus multilocularis	cysteine protease	0.0049	0.1064	0.1482
Onchocerca volvulus		0.0049	0.1064	0.1107
Plasmodium vivax	vivapain-2	0.0049	0.1064	1
Onchocerca volvulus	Cathepsin L homolog	0.0049	0.1064	0.1107
Trypanosoma cruzi	cysteine peptidase, putative	0.0049	0.1064	0.1814
Loa Loa (eye worm)	hypothetical protein	0.0146	0.5866	0.8086
Plasmodium vivax	vivapain-2	0.0049	0.1064	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0049	0.1064	0.696
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0049	0.1064	1

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 838692