TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 454.557 | Formula: C30H30O4
H donors: 1 H acceptors: 2 LogP: 6.08 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCC1(CC(=O)C(=C(O1)O)C1CC(Cc2c1cccc2)c1ccc(cc1)OC)c1ccccc1
InChi: 1S/C30H30O4/c1-3-30(23-10-5-4-6-11-23)19-27(31)28(29(32)34-30)26-18-22(17-21-9-7-8-12-25(21)26)20-13-15-24(33-2)16-14-20/h4-16,22,26,32H,3,17-19H2,1-2H3
InChiKey: PFSGBNUSFCAXMS-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
Loa Loa (eye worm)	hypothetical protein	0.0626	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.2518	1
Onchocerca volvulus	Glucosylceramidase homolog	0.0115	0.1517	0.5092
Giardia lamblia	G2/mitotic-specific cyclin B	0.0029	0.0092	0.5
Trypanosoma brucei	RNA helicase, putative	0.0565	0.8997	1
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0175	0.2518	0.2518
Leishmania major	chitinase	0.0128	0.173	1
Echinococcus granulosus	carboxylesterase 5A	0.0626	1	1
Mycobacterium ulcerans	carboxylesterase, LipT	0.0106	0.1363	0.9614
Echinococcus multilocularis	cyclins	0.0029	0.0092	0.0092
Brugia malayi	Carboxylesterase family protein	0.0106	0.1363	0.1363
Brugia malayi	hypothetical protein	0.0106	0.1363	0.1363
Echinococcus granulosus	cyclins	0.0029	0.0092	0.0092
Echinococcus granulosus	cyclin B3 1	0.0029	0.0092	0.0092
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0175	0.2518	0.2518
Plasmodium falciparum	conserved protein, unknown function	0.0203	0.2978	1
Mycobacterium ulcerans	chitinase/cellulase	0.0109	0.1418	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0029	0.0092	0.0092
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0029	0.0092	0.0092
Trichomonas vaginalis	cyclins, putative	0.0029	0.0092	0.0365
Echinococcus multilocularis	cyclins	0.0029	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0092	0.0092
Schistosoma mansoni	acetylcholinesterase	0.0106	0.1363	0.1363
Schistosoma mansoni	BC026374 protein (S09 family)	0.0106	0.1363	0.1363
Loa Loa (eye worm)	carboxylesterase	0.0106	0.1363	0.1363
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1418	0.1418
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0106	0.1363	0.1363
Echinococcus multilocularis	carboxylesterase 5A	0.0626	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.2518	1
Onchocerca volvulus	Putative endochitinase	0.0128	0.173	0.581
Trichomonas vaginalis	glucosylceramidase, putative	0.0115	0.1517	0.6024
Trichomonas vaginalis	cyclins, putative	0.0029	0.0092	0.0365
Trichomonas vaginalis	cyclin D, putative	0.0029	0.0092	0.0365
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0106	0.1363	0.1363
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0233	0.0233
Echinococcus granulosus	BC026374 protein S09 family	0.0106	0.1363	0.1363
Echinococcus granulosus	cyclins	0.0029	0.0092	0.0092
Schistosoma mansoni	cyclin B	0.0029	0.0092	0.0092
Trypanosoma cruzi	cyclin, putative	0.0029	0.0092	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0121	0.1619	0.6433
Trichomonas vaginalis	cyclin B, putative	0.0029	0.0092	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1363	0.1363
Loa Loa (eye worm)	cyclin domain-containing protein	0.0029	0.0092	0.0092
Schistosoma mansoni	hypothetical protein	0.0565	0.8997	0.8997
Entamoeba histolytica	cyclin, putative	0.0029	0.0092	0.0531
Echinococcus multilocularis	para nitrobenzyl esterase	0.0106	0.1363	0.1363
Loa Loa (eye worm)	cuticular endochitinase	0.0128	0.173	0.173
Loa Loa (eye worm)	hypothetical protein	0.0626	1	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0106	0.1363	0.1363
Echinococcus granulosus	neuroligin	0.0106	0.1363	0.1363
Echinococcus multilocularis	cyclins	0.0029	0.0092	0.0092
Echinococcus multilocularis	neuroligin	0.0106	0.1363	0.1363
Brugia malayi	Carboxylesterase family protein	0.0106	0.1363	0.1363
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.2518	1
Loa Loa (eye worm)	carboxylesterase	0.0106	0.1363	0.1363
Leishmania major	cyclin	0.0029	0.0092	0.0531
Loa Loa (eye worm)	microfilarial chitinase	0.0124	0.1674	0.1674
Trichomonas vaginalis	cyclin B, putative	0.0029	0.0092	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0203	0.2978	0.2978
Echinococcus granulosus	acetylcholinesterase	0.0626	1	1
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1363	0.1363
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0029	0.0092	0.0531
Echinococcus multilocularis	acetylcholinesterase	0.0626	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.2518	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0115	0.1517	0.6024
Brugia malayi	Carboxylesterase family protein	0.0106	0.1363	0.1363
Onchocerca volvulus		0.0106	0.1363	0.4576
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0106	0.1363	0.1363
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1363	0.1363
Echinococcus granulosus	cyclins	0.0029	0.0092	0.0092
Trypanosoma cruzi	cyclin 6, putative	0.0029	0.0092	1
Mycobacterium tuberculosis	Possible chitinase	0.0109	0.1418	1
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0029	0.0092	1
Echinococcus multilocularis	muscleblind protein	0.0101	0.129	0.129
Echinococcus multilocularis	cyclin B	0.0029	0.0092	0.0092
Echinococcus multilocularis	cyclin b3	0.0029	0.0092	0.0092
Entamoeba histolytica	hypothetical protein	0.0038	0.0233	0.1344
Echinococcus multilocularis	muscleblind protein 1	0.0101	0.129	0.129
Schistosoma mansoni	cyclins	0.0029	0.0092	0.0092
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.055	0.8747	0.8747
Onchocerca volvulus		0.0029	0.0092	0.0309
Onchocerca volvulus	Putative endochitinase	0.0128	0.173	0.581
Loa Loa (eye worm)	hypothetical protein	0.0101	0.129	0.129
Entamoeba histolytica	cyclin family protein	0.0029	0.0092	0.0531
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0233	0.0233
Echinococcus multilocularis	cyclin dependent kinase 6	0.0276	0.4195	0.4195
Entamoeba histolytica	hypothetical protein	0.0038	0.0233	0.1344
Trichomonas vaginalis	glucosylceramidase, putative	0.0115	0.1517	0.6024
Trichomonas vaginalis	glucosylceramidase, putative	0.0115	0.1517	0.6024
Echinococcus multilocularis	cyclins	0.0029	0.0092	0.0092
Onchocerca volvulus		0.0203	0.2978	1
Mycobacterium ulcerans	chitinase/cellulase	0.0109	0.1418	1
Entamoeba histolytica	cyclin, putative	0.0029	0.0092	0.0531
Trichomonas vaginalis	cyclins, putative	0.0029	0.0092	0.0365
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0106	0.1363	0.1363
Trichomonas vaginalis	cyclin B, putative	0.0029	0.0092	0.0365
Echinococcus granulosus	para nitrobenzyl esterase	0.0106	0.1363	0.1363
Toxoplasma gondii	hypothetical protein	0.0203	0.2978	0.5
Onchocerca volvulus		0.0106	0.1363	0.4576
Onchocerca volvulus		0.0106	0.1363	0.4576
Brugia malayi	Hepatocellular carcinoma-associated antigen 59 family protein	0.0203	0.2978	0.2978
Onchocerca volvulus		0.0106	0.1363	0.4576
Giardia lamblia	Cyclin A	0.0029	0.0092	0.5
Onchocerca volvulus	Putative endochitinase	0.0143	0.1986	0.667
Schistosoma mansoni	serine/threonine protein kinase	0.0276	0.4195	0.4195
Entamoeba histolytica	cyclin family protein	0.0029	0.0092	0.0531
Entamoeba histolytica	hypothetical protein	0.0038	0.0233	0.1344
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1363	0.1363
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0092	0.0365
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0029	0.0092	0.0092
Echinococcus granulosus	cyclins	0.0029	0.0092	0.0092
Brugia malayi	Endochitinase	0.0143	0.1986	0.1986
Trichomonas vaginalis	cyclin B, putative	0.0029	0.0092	0.0365
Brugia malayi	Muscleblind-like protein	0.0101	0.129	0.129
Echinococcus granulosus	Hepatocellular carcinoma associated antigen 59	0.0203	0.2978	0.2978
Brugia malayi	Carboxylesterase family protein	0.0106	0.1363	0.1363
Schistosoma mansoni	cyclin B3	0.0029	0.0092	0.0092
Trichomonas vaginalis	cyclin B3, putative	0.0029	0.0092	0.0365
Onchocerca volvulus	Putative endochitinase	0.0143	0.1986	0.667
Echinococcus multilocularis	cyclin B3 1	0.0029	0.0092	0.0092
Onchocerca volvulus		0.0106	0.1363	0.4576
Echinococcus granulosus	cyclin B	0.0029	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1363	0.1363
Trichomonas vaginalis	glucosylceramidase, putative	0.0121	0.1619	0.6433
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0106	0.1363	0.1363
Trichomonas vaginalis	cyclins, putative	0.0029	0.0092	0.0365
Trichomonas vaginalis	glucosylceramidase, putative	0.0115	0.1517	0.6024
Trichomonas vaginalis	spcc417.12 protein, putative	0.0106	0.1363	0.5413
Echinococcus multilocularis	acetylcholinesterase	0.0626	1	1
Echinococcus granulosus	cyclin dependent kinase 6	0.0276	0.4195	0.4195
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0106	0.1363	0.5413
Loa Loa (eye worm)	chitinase I	0.0128	0.173	0.173
Giardia lamblia	Hypothetical protein	0.0029	0.0092	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.2518	1
Trichomonas vaginalis	cyclin A, putative	0.0029	0.0092	0.0365
Trichomonas vaginalis	glucosylceramidase, putative	0.0115	0.1517	0.6024
Trichomonas vaginalis	cyclins, putative	0.0029	0.0092	0.0365
Echinococcus granulosus	cyclin b3	0.0029	0.0092	0.0092
Schistosoma mansoni	hypothetical protein	0.0038	0.0233	0.0233
Echinococcus granulosus	muscleblind protein	0.0101	0.129	0.129
Echinococcus multilocularis	Hepatocellular carcinoma associated antigen 59	0.0203	0.2978	0.2978
Echinococcus multilocularis	cyclins	0.0029	0.0092	0.0092
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.2518	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0233	0.0233
Loa Loa (eye worm)	carboxylesterase	0.0626	1	1
Entamoeba histolytica	chitinase, putative	0.0128	0.173	1
Brugia malayi	Carboxylesterase family protein	0.0626	1	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0029	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1363	0.1363
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0029	0.0092	0.0092
Trypanosoma brucei	mitotic cyclin 6	0.0029	0.0092	0.0102
Echinococcus granulosus	acetylcholinesterase	0.0626	1	1
Trypanosoma cruzi	cyclin, putative	0.0029	0.0092	1
Brugia malayi	endochitinase	0.0128	0.173	0.173
Loa Loa (eye worm)	acetylcholinesterase 1	0.0626	1	1
Echinococcus granulosus	cyclins	0.0029	0.0092	0.0092
Brugia malayi	endochitinase	0.0143	0.1986	0.1986
Schistosoma mansoni	hypothetical protein	0.0203	0.2978	0.2978
Echinococcus multilocularis	cyclins	0.0029	0.0092	0.0092
Trichomonas vaginalis	cyclin D, putative	0.0029	0.0092	0.0365
Onchocerca volvulus	Putative endochitinase	0.0143	0.1986	0.667
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0626	1	1
Schistosoma mansoni	gliotactin	0.0106	0.1363	0.1363
Loa Loa (eye worm)	hypothetical protein	0.0101	0.129	0.129
Plasmodium vivax	hypothetical protein, conserved	0.0203	0.2978	0.5
Trichomonas vaginalis	cyclin B, putative	0.0029	0.0092	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1363	0.1363
Brugia malayi	hypothetical protein	0.0038	0.0233	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0203	0.2978	0.2978
Entamoeba histolytica	hypothetical protein	0.0038	0.0233	0.1344
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0106	0.1363	0.1363
Onchocerca volvulus		0.0203	0.2978	1
Echinococcus multilocularis	cyclins	0.0029	0.0092	0.0092
Trichomonas vaginalis	glucosylceramidase, putative	0.0115	0.1517	0.6024

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	> 10 uM	Concentration required for inhibiting proliferation of human lung tumor cell line A549 after 72 hr of incubation was determined	ChEMBL.	15482917
IC50 (functional)	> 10 uM	Concentration required for inhibiting proliferation of human ovarian tumor cell line SK-OV-3 after 72 hr of incubation was determined	ChEMBL.	15482917
IC50 (functional)	> 10 uM	Concentration required for inhibiting proliferation of human melanoma tumor cell line SK-MEL-2 after 72 hr of incubation was determined	ChEMBL.	15482917
IC50 (functional)	> 10 uM	Concentration required for inhibiting proliferation of human brain tumor cell line XF 498 after 72 hr of incubation was determined	ChEMBL.	15482917
IC50 (functional)	> 10 uM	Concentration required for inhibiting proliferation of human colon tumor cell line HCT-15 after 72 hr of incubation was determined	ChEMBL.	15482917
IC50 (functional)	> 10 uM	Concentration required for inhibiting proliferation of human lung tumor cell line A549 after 72 hr of incubation was determined	ChEMBL.	15482917
IC50 (functional)	> 10 uM	Concentration required for inhibiting proliferation of human ovarian tumor cell line SK-OV-3 after 72 hr of incubation was determined	ChEMBL.	15482917
IC50 (functional)	> 10 uM	Concentration required for inhibiting proliferation of human melanoma tumor cell line SK-MEL-2 after 72 hr of incubation was determined	ChEMBL.	15482917
IC50 (functional)	> 10 uM	Concentration required for inhibiting proliferation of human brain tumor cell line XF 498 after 72 hr of incubation was determined	ChEMBL.	15482917
IC50 (functional)	> 10 uM	Concentration required for inhibiting proliferation of human colon tumor cell line HCT-15 after 72 hr of incubation was determined	ChEMBL.	15482917

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	15482917

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 327497