TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 454.582 | Formula: C25H30N2O4S
H donors: 0 H acceptors: 3 LogP: 4.32 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)CN(C(=O)C(C)(C)C)C[C@@H]1CSC(N1C(=O)c1ccccc1)c1ccccc1
InChi: 1S/C25H30N2O4S/c1-25(2,3)24(30)26(16-21(28)31-4)15-20-17-32-23(19-13-9-6-10-14-19)27(20)22(29)18-11-7-5-8-12-18/h5-14,20,23H,15-17H2,1-4H3/t20-,23?/m1/s1
InChiKey: GQNHFBFYWMIIBE-PPUHSXQSSA-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
Plasmodium vivax	cyclin dependent kinase binding protein, putative	0.0033	0.1387	0.4797
Schistosoma mansoni	cyclin d	0.0033	0.1387	0.1387
Entamoeba histolytica	cyclin C, putative	0.0033	0.1387	0.1387
Trichomonas vaginalis	cyclins, putative	0.0135	1	1
Toxoplasma gondii	cyclin dependent kinase binding protein	0.0033	0.1387	0.191
Schistosoma mansoni	hypothetical protein	0.0035	0.1542	0.1542
Loa Loa (eye worm)	cyclin domain-containing protein	0.0135	1	1
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0051	0.289	0.289
Trichomonas vaginalis	cyclin D, putative	0.0033	0.1387	0.1387
Echinococcus granulosus	cyclin G2	0.0033	0.1387	0.1387
Schistosoma mansoni	cyclin k	0.0033	0.1387	0.1387
Trichomonas vaginalis	cyclin A, putative	0.0135	1	1
Loa Loa (eye worm)	cyclin domain-containing protein	0.0033	0.1387	0.1387
Mycobacterium tuberculosis	Transcriptional regulatory protein	0.0051	0.289	0.5
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0033	0.1387	0.1387
Plasmodium vivax	cyclin homologue, putative	0.0033	0.1387	0.4797
Giardia lamblia	Transcriptional regulator, Sir2 family	0.0051	0.289	0.289
Schistosoma mansoni	cyclins	0.0135	1	1
Echinococcus multilocularis	cyclins	0.0135	1	1
Echinococcus multilocularis	cyclin B3 1	0.0135	1	1
Echinococcus granulosus	cyclin k	0.0033	0.1387	0.1387
Giardia lamblia	Hypothetical protein	0.0033	0.1387	0.1387
Trichomonas vaginalis	cyclin B, putative	0.0135	1	1
Trypanosoma cruzi	mitotic cyclin, putative	0.0033	0.1387	0.1387
Trichomonas vaginalis	cyclins, putative	0.0135	1	1
Echinococcus granulosus	cyclin B3 1	0.0135	1	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0033	0.1387	0.1387
Echinococcus granulosus	cyclins	0.0135	1	1
Loa Loa (eye worm)	CYL-1 protein	0.0033	0.1387	0.1387
Echinococcus multilocularis	cyclin A3 4	0.0033	0.1387	0.1387
Echinococcus granulosus	cdk5 and abl1 enzyme substrate 1	0.0033	0.1387	0.1387
Trypanosoma brucei	mitotic cyclin	0.0033	0.1387	0.1387
Leishmania major	NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe	0.0051	0.289	0.289
Entamoeba histolytica	cyclin, putative	0.0135	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.2883	0.2883
Echinococcus multilocularis	cyclins	0.0135	1	1
Trypanosoma cruzi	Silent information regulator 2 related protein 3	0.0051	0.289	0.289
Trichomonas vaginalis	cyclin B, putative	0.0135	1	1
Trypanosoma brucei	mitotic cyclin 6	0.0135	1	1
Echinococcus granulosus	cyclins	0.0033	0.1387	0.1387
Toxoplasma gondii	cyclin 4, putative	0.0033	0.1387	0.191
Brugia malayi	Cyclin C	0.0033	0.1387	0.1387
Schistosoma mansoni	cyclin l	0.0033	0.1387	0.1387
Brugia malayi	hypothetical protein	0.0033	0.1387	0.1387
Echinococcus granulosus	cyclin	0.0033	0.1387	0.1387
Trypanosoma cruzi	cyclin 9, putative	0.0033	0.1387	0.1387
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0033	0.1387	0.1387
Onchocerca volvulus		0.0135	1	1
Trypanosoma brucei	cyclin dependent kinase-binding protein, putative	0.0033	0.1387	0.1387
Loa Loa (eye worm)	cyclin fold protein 1 variant b	0.0033	0.1387	0.1387
Echinococcus multilocularis	cyclin y	0.0033	0.1387	0.1387
Trichomonas vaginalis	cyclin B, putative	0.0033	0.1387	0.1387
Echinococcus multilocularis	cyclins	0.0135	1	1
Echinococcus granulosus	oligomeric golgi complex subunit 3	0.0033	0.1387	0.1387
Echinococcus multilocularis	G1:S specific cyclin D1	0.0033	0.1387	0.1387
Leishmania major	cyclin	0.0135	1	1
Schistosoma mansoni	Cyclin fold protein	0.0033	0.1387	0.1387
Trypanosoma cruzi	mitotic cyclin, putative	0.0033	0.1387	0.1387
Trypanosoma brucei	cyclin 3	0.0033	0.1387	0.1387
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0135	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.1387	0.1387
Trichomonas vaginalis	cyclin B3, putative	0.0033	0.1387	0.1387
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0033	0.1387	0.1387
Echinococcus multilocularis	Cyclin L1	0.0033	0.1387	0.1387
Loa Loa (eye worm)	cyclin C	0.0033	0.1387	0.1387
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.1387	0.1387
Echinococcus multilocularis	oligomeric golgi complex subunit 3	0.0033	0.1387	0.1387
Trichomonas vaginalis	cyclin D, putative	0.0135	1	1
Schistosoma mansoni	cyclin G	0.0033	0.1387	0.1387
Mycobacterium leprae	Probable NAD-dependent deacetylase NpdA (Regulatory protein SIR2 homolog)	0.0034	0.1537	0.5
Echinococcus multilocularis	cyclin G2	0.0033	0.1387	0.1387
Schistosoma mansoni	chromatin regulatory protein sir2	0.0051	0.289	0.289
Echinococcus multilocularis	cyclin y	0.0033	0.1387	0.1387
Echinococcus multilocularis	cyclin G2	0.0033	0.1387	0.1387
Trichomonas vaginalis	cyclins, putative	0.0135	1	1
Toxoplasma gondii	hypothetical protein	0.0033	0.1387	0.191
Echinococcus multilocularis	cyclin	0.0033	0.1387	0.1387
Loa Loa (eye worm)	cyclin domain-containing protein	0.0033	0.1387	0.1387
Echinococcus granulosus	cyclins	0.0135	1	1
Leishmania major	mitotic cyclin, putative	0.0033	0.1387	0.1387
Trypanosoma cruzi	cyclin, putative	0.0135	1	1
Brugia malayi	hypothetical protein	0.0033	0.1387	0.1387
Trypanosoma cruzi	cyclin, putative	0.0135	1	1
Schistosoma mansoni	cyclin B	0.0135	1	1
Trypanosoma brucei	cyclin 9	0.0033	0.1387	0.1387
Plasmodium vivax	cyclin 4, putative	0.0033	0.1387	0.4797
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0051	0.289	0.289
Entamoeba histolytica	cyclin family protein	0.0135	1	1
Echinococcus granulosus	cyclins	0.0135	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.2883	0.2883
Trichomonas vaginalis	cyclin B, putative	0.0135	1	1
Trichomonas vaginalis	cyclin B, putative	0.0033	0.1387	0.1387
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1387	0.1387
Toxoplasma gondii	cyclin, N-terminal domain-containing protein	0.0033	0.1387	0.191
Echinococcus multilocularis	cyclin b3	0.0135	1	1
Loa Loa (eye worm)	cyclin domain-containing protein	0.0033	0.1387	0.1387
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.1387	0.1387
Brugia malayi	cyclin fold protein 1 variant b	0.0033	0.1387	0.1387
Trypanosoma brucei	Silent information regulator 2 related protein 3	0.0051	0.289	0.289
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.1387	0.1387
Trypanosoma cruzi	cyclin 6, putative	0.0135	1	1
Leishmania major	cyclin 9, putative	0.0033	0.1387	0.1387
Giardia lamblia	Hypothetical protein	0.0033	0.1387	0.1387
Echinococcus multilocularis	cyclins	0.0135	1	1
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0135	1	1
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0051	0.289	0.289
Echinococcus multilocularis	cyclins	0.0135	1	1
Echinococcus multilocularis	cyclin B	0.0135	1	1
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0135	1	1
Plasmodium vivax	NAD-dependent deacetylase, putative	0.0051	0.289	1
Plasmodium falciparum	cyclin 1	0.0033	0.1387	0.1387
Echinococcus granulosus	G1:S specific cyclin D1	0.0033	0.1387	0.1387
Plasmodium falciparum	transcriptional regulatory protein sir2a	0.0051	0.289	0.289
Trichomonas vaginalis	cyclins, putative	0.0033	0.1387	0.1387
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.1387	0.1387
Trypanosoma cruzi	Silent information regulator 2 related protein 3	0.0051	0.289	0.289
Echinococcus granulosus	cyclins	0.0135	1	1
Trichomonas vaginalis	cyclin A, putative	0.0033	0.1387	0.1387
Echinococcus granulosus	Cyclin L1	0.0033	0.1387	0.1387
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0033	0.1387	0.1387
Echinococcus granulosus	cyclin t1	0.0033	0.1387	0.1387
Echinococcus multilocularis	cyclin t1	0.0033	0.1387	0.1387
Schistosoma mansoni	cyclin G2	0.0033	0.1387	0.1387
Echinococcus granulosus	cyclin y	0.0033	0.1387	0.1387
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0033	0.1387	0.1387
Trichomonas vaginalis	cyclin B, putative	0.0135	1	1
Schistosoma mansoni	hypothetical protein	0.0033	0.1387	0.1387
Leishmania major	mitotic cyclin, putative	0.0033	0.1387	0.1387
Echinococcus granulosus	cyclin B	0.0135	1	1
Loa Loa (eye worm)	hypothetical protein	0.0135	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.2883	0.2883
Entamoeba histolytica	cyclin family protein	0.0135	1	1
Entamoeba histolytica	cyclin, putative	0.0135	1	1
Giardia lamblia	Cyclin A	0.0135	1	1
Echinococcus multilocularis	cyclin k	0.0033	0.1387	0.1387
Schistosoma mansoni	proteasome subunit alpha 1 (T01 family)	0.0033	0.1387	0.1387
Giardia lamblia	Cyclin fold protein 1, putative	0.0033	0.1387	0.1387
Trichomonas vaginalis	cyclins, putative	0.0033	0.1387	0.1387
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0135	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0135	1	1
Trichomonas vaginalis	cyclins, putative	0.0033	0.1387	0.1387
Trichomonas vaginalis	cyclin B3, putative	0.0135	1	1
Trichomonas vaginalis	cyclins, putative	0.0135	1	1
Trichomonas vaginalis	cyclin B, putative	0.0135	1	1
Giardia lamblia	Cyclin B-like protein	0.0033	0.1387	0.1387
Schistosoma mansoni	hypothetical protein	0.0033	0.1387	0.1387
Loa Loa (eye worm)	cyclin domain-containing protein	0.0033	0.1387	0.1387
Schistosoma mansoni	cyclin B3	0.0135	1	1
Loa Loa (eye worm)	cyclin domain-containing protein	0.0033	0.1387	0.1387
Echinococcus multilocularis	cyclins	0.0135	1	1
Giardia lamblia	G2/mitotic-specific cyclin B	0.0135	1	1
Toxoplasma gondii	hypothetical protein	0.0103	0.726	1
Toxoplasma gondii	cyclin domain protein, cyclin H family protein	0.0033	0.1387	0.191
Schistosoma mansoni	g1/s-specific cyclin C	0.0033	0.1387	0.1387
Plasmodium vivax	hypothetical protein, conserved	0.0033	0.1387	0.4797
Trichomonas vaginalis	cyclins, putative	0.0135	1	1
Echinococcus multilocularis	cdk5 and abl1 enzyme substrate 1	0.0033	0.1387	0.1387
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0033	0.1387	0.1387
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1542	0.1542
Echinococcus granulosus	cyclin A3 4	0.0033	0.1387	0.1387
Entamoeba histolytica	cyclin, domain containing protein	0.0033	0.1387	0.1387
Entamoeba histolytica	cyclin, domain containing protein	0.0033	0.1387	0.1387
Trichomonas vaginalis	cyclin B3, putative	0.0033	0.1387	0.1387
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.2883	0.2883
Echinococcus granulosus	cyclins	0.0135	1	1
Plasmodium falciparum	cyclin	0.0135	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1387	0.1387
Echinococcus granulosus	cyclin b3	0.0135	1	1
Entamoeba histolytica	hypothetical protein	0.0033	0.1387	0.1387
Giardia lamblia	Hypothetical protein	0.0135	1	1
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0051	0.289	0.289
Echinococcus granulosus	cyclin y	0.0033	0.1387	0.1387
Echinococcus multilocularis	cyclins	0.0135	1	1
Mycobacterium ulcerans	NAD-dependent deacetylase	0.0051	0.289	1
Toxoplasma gondii	histone deacetylase SIR2	0.0051	0.289	0.3981
Loa Loa (eye worm)	hypothetical protein	0.0135	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.1542	0.1542
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0033	0.1387	0.1387
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0135	1	1
Loa Loa (eye worm)	cyclin domain-containing protein	0.0033	0.1387	0.1387
Echinococcus granulosus	cyclin G2	0.0033	0.1387	0.1387
Plasmodium falciparum	cyclin dependent kinase binding protein, putative	0.0033	0.1387	0.1387
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0135	1	1
Trichomonas vaginalis	cyclin D, putative	0.0135	1	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

ChEMBL: CHEMBL2087588

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 1661004