TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 399.546 | Formula: C23H29NO3S
H donors: 0 H acceptors: 1 LogP: 3.73 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COCc1cc(ccc1OC)CN1CCCC(C1)C(=O)c1ccc(cc1)SC
InChi: 1S/C23H29NO3S/c1-26-16-20-13-17(6-11-22(20)27-2)14-24-12-4-5-19(15-24)23(25)18-7-9-21(28-3)10-8-18/h6-11,13,19H,4-5,12,14-16H2,1-3H3
InChiKey: QXAUEQADFUCZDN-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
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.009	0.1222	0.1222
Echinococcus granulosus	aldo keto reductase	0.009	0.1222	0.3813
Giardia lamblia	CDC72	0.011	0.1614	1
Loa Loa (eye worm)	oxidoreductase	0.009	0.1222	0.2504
Echinococcus granulosus	CREB binding protein	0.0194	0.3204	1
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0051	0.0469	0.2909
Trypanosoma brucei	aldo-keto reductase, putative	0.009	0.1222	0.757
Entamoeba histolytica	glycylpeptide N-tetradecanoyltransferase, putative	0.011	0.1614	1
Echinococcus granulosus	aldo keto reductase	0.009	0.1222	0.3813
Trypanosoma brucei	N-myristoyl transferase, putative	0.011	0.1614	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0131	0.0814
Trichomonas vaginalis	aldo-keto reductase, putative	0.009	0.1222	0.757
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.009	0.1222	0.5714
Echinococcus multilocularis	aldo keto reductase	0.009	0.1222	0.5714
Echinococcus granulosus	carnitine O palmitoyltransferase 1 liver	0.0097	0.1365	0.4262
Trichomonas vaginalis	aldo-keto reductase, putative	0.009	0.1222	0.757
Brugia malayi	N-myristoyltransferase 2	0.011	0.1614	0.3307
Trypanosoma cruzi	N-myristoyl transferase, putative	0.011	0.1614	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0281	0.4879	1
Echinococcus multilocularis	choline O acetyltransferase	0.0138	0.2138	1
Echinococcus multilocularis	CREB binding protein	0.0031	0.01	0.0469
Leishmania major	choline/Carnitine o-acyltransferase-like protein	0.0097	0.1365	0.8462
Echinococcus multilocularis	CREB binding protein	0.0031	0.01	0.0469
Echinococcus granulosus	CREB binding protein	0.012	0.1805	0.5634
Onchocerca volvulus		0.0033	0.0131	0.1075
Giardia lamblia	Aldose reductase	0.009	0.1222	0.6889
Schistosoma mansoni	pol-related	0.009	0.1222	0.3813
Trichomonas vaginalis	aldo-keto reductase, putative	0.009	0.1222	0.757
Trypanosoma cruzi	aldo/keto reductase, putative	0.009	0.1222	0.757
Schistosoma mansoni	hypothetical protein	0.0089	0.1203	0.3755
Giardia lamblia	Aldose reductase	0.009	0.1222	0.6889
Leishmania major	carnitine palmitoyltransferase-like protein	0.0033	0.0131	0.0814
Toxoplasma gondii	aldose reductase, putative	0.009	0.1222	1
Schistosoma mansoni	aldo-keto reductase	0.009	0.1222	0.3813
Trichomonas vaginalis	N-myristoyl transferase, putative	0.011	0.1614	1
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0097	0.1365	0.2799
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.009	0.1222	0.757
Onchocerca volvulus		0.009	0.1222	1
Loa Loa (eye worm)	N-myristoyltransferase 2	0.011	0.1614	0.3307
Trichomonas vaginalis	aldo-keto reductase, putative	0.009	0.1222	0.757
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0089	0.1203	0.2466
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.009	0.1222	0.5714
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0051	0.0469	0.3843
Schistosoma mansoni	hypothetical protein	0.0089	0.1203	0.3755
Echinococcus granulosus	CREB binding protein	0.0031	0.01	0.0313
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.009	0.1222	0.3813
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.009	0.1222	0.5714
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0097	0.1365	0.8462
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0051	0.0469	0.1465
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0281	0.4879	1
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0033	0.0131	0.0269
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.009	0.1222	0.3813
Trichomonas vaginalis	aldo/keto reductase, putative	0.009	0.1222	0.757
Echinococcus multilocularis	carnitine O palmitoyltransferase 2	0.0033	0.0131	0.0614
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.009	0.1222	0.3813
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.009	0.1222	0.2504
Onchocerca volvulus		0.0033	0.0131	0.1075
Trypanosoma brucei	carnitine O-palmitoyltransferase, putative	0.0033	0.0131	0.0814
Echinococcus granulosus	choline O acetyltransferase	0.0138	0.2138	0.6672
Leishmania major	prostaglandin f synthase, putative	0.009	0.1222	0.757
Loa Loa (eye worm)	oxidoreductase	0.009	0.1222	0.2504
Entamoeba histolytica	aldose reductase, putative	0.009	0.1222	0.757
Echinococcus granulosus	carnitine O palmitoyltransferase 2	0.0033	0.0131	0.041
Mycobacterium ulcerans	naphthoate synthase	0.0549	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.009	0.1222	0.3813
Leishmania major	carnitine/choline acetyltransferase, putative	0.0033	0.0131	0.0814
Echinococcus multilocularis	GPCR, family 2	0.0089	0.1203	0.5628
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.009	0.1222	0.2504
Plasmodium vivax	glycylpeptide N-tetradecanoyltransferase, putative	0.011	0.1614	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.009	0.1222	0.3813
Echinococcus granulosus	CREB binding protein	0.0031	0.01	0.0313
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.009	0.1222	0.3813
Echinococcus multilocularis	aldo keto reductase	0.009	0.1222	0.5714
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1365	0.2799
Trypanosoma brucei	carnitine O-acetyltransferase, putative	0.0033	0.0131	0.0814
Loa Loa (eye worm)	oxidoreductase	0.009	0.1222	0.2504
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0033	0.0131	0.0269
Onchocerca volvulus		0.009	0.1222	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.009	0.1222	0.757
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.009	0.1222	0.5714
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.009	0.1222	0.2504
Trypanosoma brucei	prostaglandin f synthase	0.009	0.1222	0.757
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.009	0.1222	0.5714
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.009	0.1222	0.2504
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.009	0.1222	0.3813
Brugia malayi	Choline O-acetyltransferase	0.0138	0.2138	0.4382
Schistosoma mansoni	hypothetical protein	0.0192	0.3177	0.9917
Trichomonas vaginalis	aldo-keto reductase, putative	0.009	0.1222	0.757
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0051	0.0469	0.2909
Schistosoma mansoni	choline o-acyltransferase	0.0138	0.2138	0.6672
Plasmodium falciparum	glycylpeptide N-tetradecanoyltransferase	0.011	0.1614	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.009	0.1222	0.757
Onchocerca volvulus		0.009	0.1222	1
Brugia malayi	Latrophilin receptor protein 2	0.0089	0.1203	0.2466
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0089	0.1203	0.3755
Mycobacterium tuberculosis	Probable oxidoreductase	0.009	0.1222	0.1222
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0131	0.0814
Echinococcus granulosus	glycylpeptide N tetradecanoyltransferase	0.011	0.1614	0.5036
Loa Loa (eye worm)	hypothetical protein	0.0192	0.3177	0.6513
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0033	0.0131	0.0814
Loa Loa (eye worm)	CBP-B	0.0135	0.2089	0.4282
Loa Loa (eye worm)	oxidoreductase	0.009	0.1222	0.2504
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0033	0.0131	0.0814
Loa Loa (eye worm)	choline/Carnitine O-acyltransferase	0.0033	0.0131	0.0269
Entamoeba histolytica	aldose reductase, putative	0.009	0.1222	0.757
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0051	0.0469	0.3843
Loa Loa (eye worm)	acetyltransferase	0.0129	0.197	0.4037
Echinococcus multilocularis	glycylpeptide N tetradecanoyltransferase	0.011	0.1614	0.7548
Trypanosoma cruzi	choline/carnitine O-acetyltransferase, putative	0.0033	0.0131	0.0814
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0131	0.0814
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0129	0.197	0.6148
Trypanosoma cruzi	N-myristoyl transferase, putative	0.011	0.1614	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.009	0.1222	0.757
Leishmania major	aldo-keto reductase-like protein	0.009	0.1222	0.757
Schistosoma mansoni	N-myristoyltransferase	0.011	0.1614	0.5036
Schistosoma mansoni	CREB-binding protein 1 (SmCBP1)	0.0194	0.3204	1
Onchocerca volvulus		0.009	0.1222	1
Echinococcus granulosus	aldehyde reductase	0.0064	0.0723	0.2258
Schistosoma mansoni	choline o-acyltransferase	0.0033	0.0131	0.041
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0089	0.1203	0.5628
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.009	0.1222	0.757
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0089	0.1203	0.3755
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0131	0.0814
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.009	0.1222	0.3813
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1203	0.2466
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0033	0.0131	0.0814
Trypanosoma cruzi	carnitine O-palmitoyltransferase II, putative	0.0033	0.0131	0.0814
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.009	0.1222	0.757
Plasmodium falciparum	histone acetyltransferase GCN5	0.0045	0.0353	0.219
Brugia malayi	Choline O-acetyltransferase	0.0138	0.2138	0.4382
Leishmania major	N-myristoyl transferase, putative	0.011	0.1614	1
Onchocerca volvulus		0.009	0.1222	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.009	0.1222	0.757
Brugia malayi	latrophilin 2 splice variant baaae	0.0192	0.3177	0.6513
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.009	0.1222	0.5714
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0051	0.0469	0.2909
Trichomonas vaginalis	aldo-keto reductase, putative	0.009	0.1222	0.757
Loa Loa (eye worm)	choline O-acetyltransferase	0.0138	0.2138	0.4382
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0033	0.0131	0.0814
Echinococcus multilocularis	aldo keto reductase	0.009	0.1222	0.5714
Loa Loa (eye worm)	carnitine O-palmitoyltransferase I isoform	0.0033	0.0131	0.0269
Trypanosoma brucei	hypothetical protein, conserved	0.0033	0.0131	0.0814
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0281	0.4879	1
Echinococcus multilocularis	aldo keto reductase	0.009	0.1222	0.5714
Mycobacterium ulcerans	oxidoreductase	0.009	0.1222	0.1222
Entamoeba histolytica	aldose reductase, putative	0.009	0.1222	0.757
Trypanosoma cruzi	carnitine O-acetyltransferase, putative	0.0033	0.0131	0.0814
Onchocerca volvulus		0.009	0.1222	1
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0097	0.1365	0.8462
Trichomonas vaginalis	aldo-keto reductase, putative	0.009	0.1222	0.757
Schistosoma mansoni	hypothetical protein	0.0089	0.1203	0.3755
Schistosoma mansoni	aldo-keto reductase	0.009	0.1222	0.3813
Trichomonas vaginalis	aldo-keto reductase, putative	0.009	0.1222	0.757
Echinococcus multilocularis	aldehyde reductase	0.0064	0.0723	0.3384
Echinococcus granulosus	aldo keto reductase	0.009	0.1222	0.3813
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.009	0.1222	0.5714
Loa Loa (eye worm)	oxidoreductase	0.009	0.1222	0.2504
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.009	0.1222	0.5714
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.009	0.1222	0.5714
Echinococcus multilocularis	CREB binding protein	0.0134	0.2057	0.9623
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0033	0.0131	0.0814
Onchocerca volvulus		0.0033	0.0131	0.1075
Mycobacterium tuberculosis	Naphthoate synthase MenB (dihydroxynaphthoic acid synthetase) (DHNA synthetase)	0.0549	1	1
Echinococcus multilocularis	carnitine O palmitoyltransferase 1, liver	0.0097	0.1365	0.6387
Trichomonas vaginalis	aldo-keto reductase, putative	0.009	0.1222	0.757
Trypanosoma cruzi	aldo-keto reductase	0.009	0.1222	0.757
Loa Loa (eye worm)	hypothetical protein	0.009	0.1215	0.2491
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0089	0.1203	0.2466
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.009	0.1222	0.5714
Brugia malayi	acetyltransferase, GNAT family protein	0.0129	0.197	0.4037
Onchocerca volvulus		0.0033	0.0131	0.1075
Loa Loa (eye worm)	hypothetical protein	0.009	0.1222	0.2504
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0089	0.1203	0.5628
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.009	0.1222	0.757
Trichomonas vaginalis	N-myristoyl transferase, putative	0.0073	0.0889	0.5512
Echinococcus granulosus	GPCR family 2	0.0089	0.1203	0.3755
Echinococcus granulosus	hypothetical protein	0.009	0.1222	0.3813
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0129	0.197	0.9214
Schistosoma mansoni	CREB-binding protein 2	0.0194	0.3204	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.009	0.1222	0.757
Entamoeba histolytica	acetyltransferase, GNAT family	0.0045	0.0353	0.219
Trypanosoma brucei	N-myristoyltransferase	0.011	0.1614	1
Loa Loa (eye worm)	hypothetical protein	0.0138	0.2138	0.4382
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0108	0.1568	0.4893
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.009	0.1222	0.3813
Echinococcus multilocularis	CREB binding protein	0.0031	0.01	0.0469
Schistosoma mansoni	hypothetical protein	0.0089	0.1203	0.3755
Brugia malayi	TAZ zinc finger family protein	0.0194	0.3204	0.6567
Mycobacterium leprae	Conserved hypothetical protein	0.0064	0.0723	0.0723
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.009	0.1222	0.5714
Loa Loa (eye worm)	hypothetical protein	0.0281	0.4879	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.009	0.1222	0.757
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0131	0.0814

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 911924