TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 465.58 | Formula: C25H39NO7
H donors: 2 H acceptors: 3 LogP: -0.73 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COC[C@]12CC[C@@H]([C@@]34C2C(OC)[C@]([C@@H]3N(C1)CC)(O)[C@@]1(C2C4C[C@@H](C2=O)[C@@H](C1)OC)O)OC
InChi: 1S/C25H39NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-17,19-21,28-29H,6-12H2,1-5H3/t13-,14?,15-,16+,17?,19?,20?,21-,22+,23-,24+,25-/m1/s1
InChiKey: MWOQLGAENOKSHS-XFFWKOPTSA-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
Loa Loa (eye worm)	hypothetical protein	0.001	0.0057	0.0036
Echinococcus multilocularis	neuroglian	0.0012	0.0102	0.0142
Echinococcus granulosus	cyclins	0.0042	0.0622	0.1794
Loa Loa (eye worm)	cyclin domain-containing protein	0.001	0.0061	0.0039
Echinococcus granulosus	cyclins	0.0042	0.0622	0.1794
Schistosoma mansoni	hypothetical protein	0.001	0.0061	0.0061
Schistosoma mansoni	serine/threonine protein kinase	0.0572	1	1
Echinococcus multilocularis	cyclins	0.0042	0.0622	0.1794
Echinococcus multilocularis	cyclin G2	0.001	0.0061	0.0011
Echinococcus multilocularis	cyclins	0.0042	0.0622	0.1794
Loa Loa (eye worm)	hypothetical protein	0.001	0.0061	0.0039
Entamoeba histolytica	cyclin, putative	0.0042	0.0622	1
Loa Loa (eye worm)	cyclin domain-containing protein	0.001	0.0061	0.0039
Loa Loa (eye worm)	hypothetical protein	0.001	0.0057	0.0036
Echinococcus granulosus	cyclin G2	0.001	0.0061	0.0011
Schistosoma mansoni	cell adhesion molecule	0.0013	0.0114	0.0114
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0042	0.0622	0.0568
Schistosoma mansoni	nephrin	0.0012	0.0102	0.0102
Echinococcus granulosus	cyclin B	0.0042	0.0622	0.1794
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0622	1
Schistosoma mansoni	cyclin B3	0.0042	0.0622	0.0622
Trichomonas vaginalis	cyclins, putative	0.0042	0.0622	1
Echinococcus multilocularis	cdk5 and abl1 enzyme substrate 1	0.001	0.0061	0.0011
Echinococcus multilocularis	cyclin y	0.001	0.0061	0.0011
Echinococcus multilocularis	cyclins	0.0042	0.0622	0.1794
Schistosoma mansoni	g1/s-specific cyclin C	0.001	0.0061	0.0061
Echinococcus granulosus	cyclins	0.001	0.0061	0.0011
Trichomonas vaginalis	cyclins, putative	0.0042	0.0622	1
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.001	0.0057	0.0057
Schistosoma mansoni	cyclin d	0.0188	0.3203	0.3203
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0161	0.2724	0.2682
Trichomonas vaginalis	cyclin B, putative	0.0042	0.0622	1
Echinococcus granulosus	twitchin	0.0015	0.0139	0.0261
Trichomonas vaginalis	cyclin D, putative	0.0042	0.0622	1
Entamoeba histolytica	cyclin family protein	0.0042	0.0622	1
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0042	0.0622	1
Echinococcus granulosus	cyclin y	0.001	0.0061	0.0011
Echinococcus multilocularis	cyclin	0.001	0.0061	0.0011
Echinococcus multilocularis	roundabout 2	0.0016	0.0159	0.0323
Echinococcus multilocularis	Cyclin L1	0.001	0.0061	0.0011
Loa Loa (eye worm)	cyclin domain-containing protein	0.001	0.0061	0.0039
Echinococcus granulosus	Cyclin L1	0.001	0.0061	0.0011
Loa Loa (eye worm)	cyclin fold protein 1 variant b	0.001	0.0061	0.0039
Echinococcus granulosus	G1:S specific cyclin D1	0.0188	0.3203	1
Trichomonas vaginalis	cyclins, putative	0.0042	0.0622	1
Trichomonas vaginalis	cyclins, putative	0.0042	0.0622	1
Trichomonas vaginalis	cyclin B, putative	0.0042	0.0622	1
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0042	0.0622	0.1794
Schistosoma mansoni	hypothetical protein	0.001	0.0061	0.0061
Giardia lamblia	Hypothetical protein	0.0042	0.0622	1
Trypanosoma brucei	mitotic cyclin 6	0.0042	0.0622	1
Loa Loa (eye worm)	cyclin domain-containing protein	0.001	0.0061	0.0039
Echinococcus multilocularis	cyclins	0.0042	0.0622	0.1794
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0114	0.0093
Echinococcus multilocularis	cyclin b3	0.0042	0.0622	0.1794
Brugia malayi	hypothetical protein	0.001	0.0061	0.0004
Brugia malayi	cyclin fold protein 1 variant b	0.001	0.0061	0.0004
Trichomonas vaginalis	cyclin B, putative	0.0042	0.0622	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0159	0.0138
Brugia malayi	Cyclin, N-terminal domain containing protein	0.001	0.0061	0.0004
Entamoeba histolytica	cyclin, putative	0.0042	0.0622	1
Echinococcus granulosus	cyclin y	0.001	0.0061	0.0011
Echinococcus multilocularis	cyclin t1	0.001	0.0061	0.0011
Toxoplasma gondii	hypothetical protein	0.0032	0.0443	1
Trichomonas vaginalis	cyclin B3, putative	0.0042	0.0622	1
Schistosoma mansoni	cyclins	0.0042	0.0622	0.0622
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0042	0.0622	0.0568
Echinococcus granulosus	roundabout 2	0.0016	0.0159	0.0323
Plasmodium falciparum	cyclin	0.0042	0.0622	1
Echinococcus granulosus	cyclin G2	0.001	0.0061	0.0011
Trypanosoma cruzi	cyclin, putative	0.0042	0.0622	1
Echinococcus multilocularis	G1:S specific cyclin D1	0.0188	0.3203	1
Plasmodium vivax	hypothetical protein, conserved	0.001	0.0061	0.5
Giardia lamblia	Cyclin A	0.0042	0.0622	1
Schistosoma mansoni	cyclin G2	0.001	0.0061	0.0061
Loa Loa (eye worm)	cyclin domain-containing protein	0.0042	0.0622	0.0601
Onchocerca volvulus	Tyrosine kinase homolog	0.015	0.2536	1
Schistosoma mansoni	vesicular amine transporter	0.001	0.0057	0.0057
Echinococcus multilocularis	cyclins	0.0042	0.0622	0.1794
Trypanosoma cruzi	cyclin, putative	0.0042	0.0622	1
Trypanosoma cruzi	cyclin 6, putative	0.0042	0.0622	1
Onchocerca volvulus		0.0147	0.2476	0.9755
Echinococcus multilocularis	cyclin G2	0.001	0.0061	0.0011
Trichomonas vaginalis	cyclin A, putative	0.0042	0.0622	1
Schistosoma mansoni	cyclin B	0.0042	0.0622	0.0622
Entamoeba histolytica	cyclin family protein	0.0042	0.0622	1
Loa Loa (eye worm)	hypothetical protein	0.0178	0.3025	0.301
Echinococcus multilocularis	oligomeric golgi complex subunit 3	0.001	0.0061	0.0011
Schistosoma mansoni	cyclin k	0.001	0.0061	0.0061
Trichomonas vaginalis	cyclin D, putative	0.0042	0.0622	1
Schistosoma mansoni	Cyclin fold protein	0.001	0.0061	0.0061
Echinococcus granulosus	cyclin B3 1	0.0042	0.0622	0.1794
Trichomonas vaginalis	cyclins, putative	0.0042	0.0622	1
Echinococcus granulosus	cyclin A3 4	0.001	0.0061	0.0011
Echinococcus granulosus	cyclin b3	0.0042	0.0622	0.1794
Brugia malayi	Cyclin, N-terminal domain containing protein	0.001	0.0061	0.0004
Echinococcus multilocularis	cyclin k	0.001	0.0061	0.0011
Brugia malayi	Cyclin C	0.001	0.0061	0.0004
Schistosoma mansoni	cyclin G	0.001	0.0061	0.0061
Leishmania major	cyclin	0.0042	0.0622	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.001	0.0061	0.0004
Loa Loa (eye worm)	cyclin C	0.001	0.0061	0.0039
Echinococcus granulosus	cyclin	0.001	0.0061	0.0011
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0161	0.2724	0.2708
Echinococcus granulosus	cdk5 and abl1 enzyme substrate 1	0.001	0.0061	0.0011
Brugia malayi	Cyclin, N-terminal domain containing protein	0.001	0.0061	0.0004
Echinococcus multilocularis	cyclin A3 4	0.001	0.0061	0.0011
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0188	0.3203	0.3164
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.001	0.0057	0.0057
Echinococcus multilocularis	cyclins	0.0042	0.0622	0.1794
Echinococcus multilocularis	cyclin B	0.0042	0.0622	0.1794
Echinococcus multilocularis	cyclin y	0.001	0.0061	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0188	0.3203	0.3189
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0572	1	1
Echinococcus granulosus	cyclins	0.0042	0.0622	0.1794
Loa Loa (eye worm)	hypothetical protein	0.001	0.0057	0.0036
Plasmodium vivax	cyclin dependent kinase binding protein, putative	0.001	0.0061	0.5
Echinococcus granulosus	cyclins	0.0042	0.0622	0.1794
Brugia malayi	hypothetical protein	0.001	0.0061	0.0004
Loa Loa (eye worm)	CYL-1 protein	0.001	0.0061	0.0039
Schistosoma mansoni	cyclin l	0.001	0.0061	0.0061
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0042	0.0622	0.0568
Echinococcus granulosus	cyclin t1	0.001	0.0061	0.0011
Echinococcus granulosus	oligomeric golgi complex subunit 3	0.001	0.0061	0.0011
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0042	0.0622	1
Loa Loa (eye worm)	cyclin domain-containing protein	0.001	0.0061	0.0039
Loa Loa (eye worm)	hypothetical protein	0.001	0.0057	0.0036
Brugia malayi	Cyclin, N-terminal domain containing protein	0.001	0.0061	0.0004
Plasmodium vivax	cyclin 4, putative	0.001	0.0061	0.5
Onchocerca volvulus		0.0042	0.0622	0.2266
Loa Loa (eye worm)	cyclin domain-containing protein	0.001	0.0061	0.0039
Echinococcus granulosus	cyclin k	0.001	0.0061	0.0011
Trichomonas vaginalis	cyclin B, putative	0.0042	0.0622	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0057	0.0036
Echinococcus granulosus	cyclins	0.0042	0.0622	0.1794
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0042	0.0622	0.1794
Schistosoma mansoni	proteasome subunit alpha 1 (T01 family)	0.001	0.0061	0.0061
Echinococcus multilocularis	cyclins	0.0042	0.0622	0.1794
Brugia malayi	Cyclin, N-terminal domain containing protein	0.001	0.0061	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0622	0.0601
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0013	0.0114	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0159	0.0138
Trichomonas vaginalis	cyclin B, putative	0.0042	0.0622	1
Plasmodium vivax	cyclin homologue, putative	0.001	0.0061	0.5
Echinococcus granulosus	neuroglian	0.0012	0.0102	0.0142
Giardia lamblia	G2/mitotic-specific cyclin B	0.0042	0.0622	1
Echinococcus multilocularis	cyclin B3 1	0.0042	0.0622	0.1794
Loa Loa (eye worm)	hypothetical protein	0.001	0.0057	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0622	0.0601

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: CHEMBL2373960

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 1747868