TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 462.604 | Formula: C27H30N2O3S
H donors: 1 H acceptors: 1 LogP: 5.94 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1cc(ccc1OCC)C(CNC(=O)c1cc2c(n1Cc1ccccc1)ccs2)C
InChi: 1S/C27H30N2O3S/c1-4-31-24-12-11-21(15-25(24)32-5-2)19(3)17-28-27(30)23-16-26-22(13-14-33-26)29(23)18-20-9-7-6-8-10-20/h6-16,19H,4-5,17-18H2,1-3H3,(H,28,30)
InChiKey: JSIAQJXGRVJVSC-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
Giardia lamblia	Kinase, NEK	0.0002	0.0004	0.0049
Trichomonas vaginalis	unc-44 ankyrins, putative	0.0002	0.0004	0.0049
Giardia lamblia	Kinase, NEK	0.0002	0.0004	0.0049
Toxoplasma gondii	hypothetical protein	0.0047	0.076	0.2276
Schistosoma mansoni	hypothetical protein	0.0014	0.0197	0.0197
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0.0004	0.0049
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0022	0.034	0.1018
Echinococcus granulosus	liprin alpha 2	0.0014	0.0197	0.0197
Trichomonas vaginalis	unc-44 ankyrins, putative	0.0002	0.0004	0.0049
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.034	0.4474
Leishmania major	oligopeptidase b	0.0047	0.076	0.2276
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.034	0.4474
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0047	0.076	0.2276
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0.0004	0.0049
Trichomonas vaginalis	2-5A-dependent ribonuclease, putative	0.0002	0.0004	0.0049
Brugia malayi	Tnks protein	0.0156	0.2571	0.2571
Echinococcus granulosus	acylamino acid releasing enzyme	0.0047	0.076	0.076
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0	0.0005
Trichomonas vaginalis	ion channel nompc, putative	0.0002	0.0004	0.0049
Entamoeba histolytica	hypothetical protein	0.0022	0.034	0.4474
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0047	0.076	1
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0.0004	0.0049
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0022	0.034	0.1018
Loa Loa (eye worm)	hypothetical protein	0.0047	0.076	0.076
Echinococcus multilocularis	liprin alpha 2	0.0014	0.0197	0.0197
Trichomonas vaginalis	ankyrin repeat domain protein, putative	0.0003	0.001	0.013
Trypanosoma cruzi	palmitoyl acyltransferase 1, putative	0.0002	0.0004	0.0011
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0047	0.076	0.076
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0.0004	0.0049
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0599	1	1
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0201	0.3338	1
Echinococcus multilocularis	tankyrase	0.0157	0.2594	0.2594
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.034	0.4474
Schistosoma mansoni	hypothetical protein	0.0014	0.0197	0.0197
Echinococcus granulosus	poly ADP ribose polymerase 1	0.0022	0.034	0.034
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0047	0.076	0.2276
Echinococcus multilocularis	acylamino acid releasing enzyme	0.0047	0.076	0.076
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0	0.0005
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0599	1	1
Brugia malayi	Patatin-like phospholipase family protein	0.0002	0.0004	0.0004
Schistosoma mansoni	acylaminoacyl-peptidase (S09 family)	0.0047	0.076	0.076
Leishmania major	huntingtin interacting protein (HIP), putative	0.0002	0.0004	0.0011
Echinococcus multilocularis	poly (ADP ribose) polymerase	0.0022	0.034	0.034
Loa Loa (eye worm)	hypothetical protein	0.0047	0.076	0.076
Schistosoma mansoni	lar interacting protein (lip)-related protein	0.0014	0.0197	0.0197
Entamoeba histolytica	hypothetical protein	0.0022	0.034	0.4474
Echinococcus granulosus	prolyl endopeptidase	0.0047	0.076	0.076
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0047	0.076	0.076
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0047	0.076	1
Onchocerca volvulus		0.0014	0.0197	0.0197
Echinococcus multilocularis	poly (ADP ribose) polymerase 1	0.0022	0.034	0.034
Echinococcus granulosus	liprin beta 1	0.0014	0.0197	0.0197
Toxoplasma gondii	prolyl endopeptidase	0.0047	0.076	0.2276
Loa Loa (eye worm)	hypothetical protein	0.0047	0.076	0.076
Entamoeba histolytica	hypothetical protein	0.0022	0.034	0.4474
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0201	0.3338	1
Echinococcus multilocularis	poly (adp ribose) polymerase 2	0.0022	0.034	0.034
Toxoplasma gondii	acylaminoacyl-peptidase, putative	0.0047	0.076	0.2276
Trypanosoma cruzi	oligopeptidase b	0.0047	0.076	0.2276
Loa Loa (eye worm)	hypothetical protein	0.0022	0.034	0.034
Trichomonas vaginalis	inversin, putative	0.0002	0	0.0005
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0047	0.076	0.2276
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0047	0.076	0.5
Trichomonas vaginalis	protein phosphatase 1 regulatory subunit 12C, putative	0.0002	0.0004	0.0049
Echinococcus granulosus	SAM domain containing protein	0.0014	0.0197	0.0197
Trichomonas vaginalis	ankyrin 2,3/unc44, putative	0.0003	0.0014	0.0184
Brugia malayi	prolyl oligopeptidase family protein	0.0047	0.076	0.076
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0599	1	1
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0201	0.3338	1
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0003	0.001	0.0135
Trichomonas vaginalis	ankyrin repeat domain protein, putative	0.0002	0	0.0005
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0	0.0005
Trichomonas vaginalis	ankyrin repeat-rich membrane-spanning protein, putative	0.0002	0	0.0005
Trichomonas vaginalis	multiple ankyrin repeats single kh domain protein, putative	0.0002	0.0004	0.0049
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0047	0.076	1
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.034	0.4474
Trichomonas vaginalis	protein phosphatase 1 regulatory subunit 12B, putative	0.0002	0	0.0005
Brugia malayi	hypothetical protein	0.0154	0.2543	0.2543
Plasmodium vivax	hypothetical protein, conserved	0.0047	0.076	1
Mycobacterium tuberculosis	Probable protease II PtrBb [second part] (oligopeptidase B)	0.0047	0.076	0.5
Trichomonas vaginalis	ankyrin, putative	0.0002	0.0004	0.0054
Echinococcus granulosus	poly adp ribose polymerase 2	0.0022	0.034	0.034
Loa Loa (eye worm)	hypothetical protein	0.0002	0.0004	0.0004
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0047	0.076	0.2276
Brugia malayi	WGR domain containing protein	0.0022	0.034	0.034
Onchocerca volvulus		0.0014	0.0197	0.0197
Trichomonas vaginalis	ankyrin, putative	0.0002	0.0004	0.0049
Brugia malayi	sterile alpha and TIR motif containing protein 1 isoform a	0.0014	0.0197	0.0197
Echinococcus multilocularis	liprin beta 1	0.0014	0.0197	0.0197
Trypanosoma cruzi	palmitoyl acyltransferase 1, putative	0.0002	0.0004	0.0011
Mycobacterium tuberculosis	Probable peptidase	0.0047	0.076	0.5
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0201	0.3338	1
Trichomonas vaginalis	ankyrin 2,3/unc44, putative	0.0002	0.0004	0.0049
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0047	0.076	0.076
Trichomonas vaginalis	ankyrin repeat domain protein, putative	0.0002	0.0004	0.0049
Trichomonas vaginalis	ankyrin repeat and FYVE domain containing protein, putative	0.0002	0.0004	0.0049
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0201	0.3338	0.3338
Brugia malayi	Liprin-alpha 2	0.0014	0.0197	0.0197
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.076	1
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0047	0.076	1
Loa Loa (eye worm)	poly(ADP-ribose) polymerase	0.0022	0.034	0.034
Trypanosoma brucei	prolyl endopeptidase	0.0047	0.076	0.2276
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0.0004	0.0049
Entamoeba histolytica	prolyl oligopeptidase family protein	0.0047	0.076	1
Brugia malayi	hypothetical protein	0.0014	0.0197	0.0197
Schistosoma mansoni	tankyrase	0.0157	0.2598	0.2598
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1953	0.1953
Trichomonas vaginalis	ankyrin, putative	0.0002	0	0.0005
Plasmodium falciparum	peptidase, putative	0.0047	0.076	1
Trichomonas vaginalis	ankyrin repeat domain protein, putative	0.0002	0.0004	0.0049
Echinococcus granulosus	stromal interaction molecule 1	0.0014	0.0197	0.0197
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0.0004	0.0049
Echinococcus granulosus	sterile alpha and tir motif containing protein	0.0014	0.0197	0.0197
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0	0.0005
Entamoeba histolytica	poly(ADP-ribose) polymerase, putative	0.0022	0.034	0.4474
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0047	0.076	0.2276
Entamoeba histolytica	hypothetical protein	0.0022	0.034	0.4474
Brugia malayi	WGR domain containing protein	0.0022	0.034	0.034
Loa Loa (eye worm)	toll and interleukin 1 receptor domain-containing protein isoform f	0.0014	0.0197	0.0197
Trichomonas vaginalis	ion channel nompc, putative	0.0002	0	0.0005
Schistosoma mansoni	ankyrin 23/unc44	0.0002	0.0004	0.0004
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.034	0.4474
Echinococcus granulosus	E3 ubiquitin protein ligase mib1	0.0002	0.0004	0.0004
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0014	0.0197	0.059
Brugia malayi	Neurabin protein 1	0.0014	0.0197	0.0197
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0201	0.3338	0.3338
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0201	0.3338	1
Trichomonas vaginalis	serine/threonine-protein kinase ripk4, putative	0.0002	0	0.0005
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0.0004	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0197	0.0197
Echinococcus multilocularis	prolyl endopeptidase	0.0047	0.076	0.076
Brugia malayi	prolyl oligopeptidase family protein	0.0047	0.076	0.076
Echinococcus granulosus	Ankyrin	0.0002	0.0004	0.0004
Trypanosoma cruzi	oligopeptidase b	0.0047	0.076	0.2276
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0201	0.3338	0.3338
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0	0.0005
Echinococcus multilocularis	SAM domain containing protein	0.0014	0.0197	0.0197
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0047	0.076	0.076
Trypanosoma cruzi	hypothetical protein, conserved	0.0047	0.076	0.2276
Trichomonas vaginalis	ion channel nompc, putative	0.0002	0	0.0005
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0022	0.034	0.034
Brugia malayi	prolyl oligopeptidase family protein	0.0201	0.3338	0.3338
Loa Loa (eye worm)	tnks protein	0.0143	0.2365	0.2365
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0197	0.2593
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0	0.0005
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0.0004	0.0054
Echinococcus granulosus	Sterile alpha motif SAM	0.0014	0.0197	0.0197
Trypanosoma brucei	Alpha/beta hydrolase domain-containing protein	0.0047	0.076	0.2276
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0197	0.2593
Trypanosoma brucei	oligopeptidase b	0.0047	0.076	0.2276
Trichomonas vaginalis	c2h2 zinc finger protein, putative	0.0014	0.0197	0.2593
Brugia malayi	coiled-coil like protein 1	0.0014	0.0197	0.0197
Echinococcus multilocularis	sterile alpha and tir motif containing protein	0.0014	0.0197	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0197	0.0197
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0047	0.076	1
Giardia lamblia	Alanyl dipeptidyl peptidase	0.0047	0.076	1
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0047	0.076	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0197	0.0197
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.034	0.4474
Trichomonas vaginalis	ankyrin, putative	0.0002	0	0.0005
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.034	0.4474
Entamoeba histolytica	dipeptidyl-peptidase, putative	0.0047	0.076	1
Schistosoma mansoni	sarm1	0.0014	0.0197	0.0197
Echinococcus granulosus	tankyrase	0.0157	0.2594	0.2594
Loa Loa (eye worm)	hypothetical protein	0.0154	0.2543	0.2543
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.034	0.4474
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0002	0	0.0005
Entamoeba histolytica	hypothetical protein, conserved	0.0047	0.076	1
Trypanosoma cruzi	prolyl endopeptidase	0.0047	0.076	0.2276
Trypanosoma brucei	poly(adp-ribose) polymerase	0.0022	0.034	0.1018
Entamoeba histolytica	zinc finger protein, putative	0.0022	0.034	0.4474
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.034	0.4474
Trichomonas vaginalis	E3 ubiquitin protein ligase, putative	0.0002	0	0.0005
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0201	0.3338	1
Loa Loa (eye worm)	prolyl oligopeptidase	0.0047	0.076	0.076
Echinococcus multilocularis	stromal interaction molecule 1	0.0014	0.0197	0.0197
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0599	1	1
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.0022	0.034	0.034
Trichomonas vaginalis	Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase	0.0047	0.076	1
Trichomonas vaginalis	ankyrin repeat domain-containing protein, putative	0.0002	0	0.0005
Schistosoma mansoni	lip-related protein (liprin) alpha	0.0014	0.0197	0.0197
Loa Loa (eye worm)	prolyl oligopeptidase	0.0599	1	1
Brugia malayi	prolyl oligopeptidase family protein	0.0047	0.076	0.076
Onchocerca volvulus	Tankyrase homolog	0.0141	0.2325	0.2325
Trichomonas vaginalis	tankyrase, putative	0.0002	0	0.0005
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.0022	0.034	0.1018
Echinococcus multilocularis	Ankyrin	0.0002	0.0004	0.0004
Schistosoma mansoni	hypothetical protein	0.0014	0.0197	0.0197
Echinococcus multilocularis	E3 ubiquitin protein ligase mib1	0.0002	0.0004	0.0004
Schistosoma mansoni	hypothetical protein	0.0014	0.0197	0.0197
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0047	0.076	0.2276
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0197	0.0197
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0197	0.2593
Trypanosoma brucei	palmitoyl acyltransferase 1, putative	0.0002	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0197	0.0197
Brugia malayi	hypothetical protein	0.0014	0.0197	0.0197
Trypanosoma cruzi	hypothetical protein, conserved	0.0047	0.076	0.2276
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0197	0.2593

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: CHEMBL3187470

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 1873139