TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 238.281 | Formula: C16H14O2
H donors: 0 H acceptors: 1 LogP: 3.44 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)C1COc2c(C1=O)cccc2
InChi: 1S/C16H14O2/c1-11-6-8-12(9-7-11)14-10-18-15-5-3-2-4-13(15)16(14)17/h2-9,14H,10H2,1H3
InChiKey: CKZDVTPWOZRRRF-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
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0613	0.0709	0.0708
Entamoeba histolytica	hypothetical protein	0.0419	0.0395	0.0367
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0543	0.0595	0.0575
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.044	0.0428	0.0034
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.2992	0.4567	0.4344
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5053	0.791	0.791
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0419	0.0395	0.0375
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5405	0.848	0.848
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.044	0.0428	0.0408
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.044	0.0428	1
Echinococcus multilocularis	Zinc finger, PHD finger	0.044	0.0428	0.0408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.6342	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.2166	0.3228	0.3214
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.044	0.0428	0.0428
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.048	0.0494	0.0493
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5053	0.791	0.791
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.044	0.0428	0.04
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0937	0.1235	0.1216
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3444	0.5301	0.53
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.2166	0.3228	0.2949
Toxoplasma gondii	FATC domain-containing protein	0.1218	0.1691	0.1854
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4728	0.7382	0.7382
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3444	0.5301	0.53
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0789	0.0994	0.0949
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.044	0.0428	0.0427
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0419	0.0395	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.048	0.0494	0.0494
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.6342	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0419	0.0395	0.0394
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.1218	0.1691	0.1349
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0419	0.0395	0.0394
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1218	0.1691	0.1691
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.2155	0.321	0.2931
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.055	0.0608	0.0607
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.044	0.0428	0.0427
Entamoeba histolytica	hypothetical protein	0.0419	0.0395	0.0367
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4116	0.639	0.639
Loa Loa (eye worm)	hypothetical protein	0.1284	0.1797	0.178
Loa Loa (eye worm)	phosphatidylinositol 3	0.0748	0.0928	0.0909
Loa Loa (eye worm)	hypothetical protein	0.0799	0.101	0.0991
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1703	0.2477	0.2476
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.044	0.0428	0.0408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.377	0.5828	0.5828
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.6342	1	1
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.046	0.0461	0.0069
Trichomonas vaginalis	PIKK family atypical protein kinase	0.6342	1	1
Entamoeba histolytica	protein kinase rad3, putative	0.1218	0.1691	0.1666
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2166	0.3228	0.3227
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.048	0.0494	0.0447
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.048	0.0494	0.0466
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.1218	0.1691	0.1349
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.048	0.0494	0.0466
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.6342	1	1
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.2207	0.3293	0.3279
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2155	0.321	0.321
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3791	0.5863	0.5862
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.2207	0.3293	0.3293
Loa Loa (eye worm)	hypothetical protein	0.1357	0.1915	0.1898
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.6342	1	1
Loa Loa (eye worm)	hypothetical protein	0.0543	0.0595	0.0575
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0502	0.0529	0.0502
Onchocerca volvulus		0.0419	0.0395	0.5
Schistosoma mansoni	hypothetical protein	0.0937	0.1235	0.1191
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.2207	0.3293	0.3279
Leishmania major	phosphatidylinositol 3-kinase, putative	0.044	0.0428	0.0034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0419	0.0395	0.0394
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.2207	0.3293	0.3017
Leishmania major	hypothetical protein, conserved	0.0512	0.0545	0.0156
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.2207	0.3293	0.326
Loa Loa (eye worm)	phosphatidylinositol 3	0.0419	0.0395	0.0375
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.1218	0.1691	0.1673
Loa Loa (eye worm)	phosphatidylinositol 3	0.6342	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2155	0.321	0.321
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0419	0.0395	0.0375
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.1218	0.1691	0.1349
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5053	0.791	0.791
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.044	0.0428	0.0034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4728	0.7382	0.7382
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0572	0.0643	0.0616
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.6342	1	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.1218	0.1691	0.1649
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3444	0.5301	0.53
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.068	0.0818	0.0799
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1218	0.1691	0.169
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.048	0.0494	0.0493
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0613	0.0709	0.0708
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5053	0.791	0.791
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0419	0.0395	0.0348
Schistosoma mansoni	fkbp-rapamycin associated protein	0.1218	0.1691	0.1649
Loa Loa (eye worm)	hypothetical protein	0.0419	0.0395	0.0375
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0419	0.0395	0.0394
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0613	0.0709	0.0709
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.5059	0.7918	0.7833
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.044	0.0428	0.0047
Trichomonas vaginalis	conserved hypothetical protein	0.0937	0.1235	0.1234
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3791	0.5863	0.5862
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.044	0.0428	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0799	0.101	0.064
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3439	0.5292	0.5292
Entamoeba histolytica	hypothetical protein	0.0572	0.0643	0.0616
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0789	0.0994	0.0975
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.048	0.0494	0.0493
Trichomonas vaginalis	PIKK family atypical protein kinase	0.377	0.5828	0.5828
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0419	0.0395	0.0348
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.6342	1	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.6342	1	1
Schistosoma mansoni	hypothetical protein	0.0419	0.0395	0.0348
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0419	0.0395	0.0375
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.048	0.0494	0.0103
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0543	0.0595	0.0575
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0613	0.0709	0.0682
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0419	0.0395	0.0375
Loa Loa (eye worm)	phosphatidylinositol 3	0.0419	0.0395	0.0375
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1229	0.1708	0.1707
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.1357	0.1915	0.2175
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.6342	1	1
Loa Loa (eye worm)	hypothetical protein	0.0937	0.1235	0.1216
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4255	0.6615	0.6614
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4728	0.7382	0.7382
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.1218	0.1691	0.1673
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.5059	0.7918	0.7833
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0937	0.1235	0.1216
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4728	0.7382	0.7382
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.044	0.0428	0.0047
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0419	0.0395	0.0375
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.6342	1	1
Echinococcus granulosus	serine protein kinase ATM	0.1218	0.1691	0.1673
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4728	0.7382	0.7382
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0419	0.0395	0.0375
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.2207	0.3293	0.3017
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.044	0.0428	0.0408
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.044	0.0428	0.0034
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.044	0.0428	0.038
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0419	0.0395	0.0395
Toxoplasma gondii	target of rapamycin (TOR), putative	0.4728	0.7382	1
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0419	0.0395	0.0367
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3791	0.5863	0.5862
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4728	0.7382	0.7382
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3439	0.5292	0.5292
Giardia lamblia	GTOR	0.6342	1	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.5059	0.7918	0.7833
Trichomonas vaginalis	conserved hypothetical protein	0.1357	0.1915	0.1914
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0613	0.0709	0.0327
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0799	0.101	0.1009
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0419	0.0395	0.0395
Entamoeba histolytica	hypothetical protein	0.1218	0.1691	0.1666
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0613	0.0709	0.0327
Trichomonas vaginalis	PIKK family atypical protein kinase	0.6342	1	1
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.044	0.0428	0.04
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.048	0.0494	0.0103
Entamoeba histolytica	hypothetical protein	0.0419	0.0395	0.0367
Leishmania major	phosphatidylinositol 3-kinase, putative	0.2155	0.321	0.2931
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.1229	0.1708	0.1684
Brugia malayi	FAT domain containing protein	0.0937	0.1235	0.1235
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.044	0.0428	0.0408
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.2646	0.4005	0.3759
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0419	0.0395	0.0348
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.055	0.0608	0.0607
Onchocerca volvulus		0.0419	0.0395	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2155	0.321	0.321
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.6342	1	1
Mycobacterium leprae	conserved hypothetical protein	0.0419	0.0395	0.5
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.044	0.0428	0.0427
Trichomonas vaginalis	conserved hypothetical protein	0.0799	0.101	0.1009
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.068	0.0818	0.0799
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.044	0.0428	0.0034
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.044	0.0428	0.038
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4728	0.7382	0.7382
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1218	0.1691	0.169
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0543	0.0595	0.0595
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.051	0.0542	0.0152
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0613	0.0709	0.0708
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1218	0.1691	0.1691
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0789	0.0994	0.0975
Loa Loa (eye worm)	phosphatidylinositol 3	0.0419	0.0395	0.0375
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3444	0.5301	0.53
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0189	0.0021	0.0021
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5053	0.791	0.791
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.6342	1	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0419	0.0395	0.0395
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3439	0.5292	0.5292
Echinococcus multilocularis		0.0419	0.0395	0.0375
Echinococcus multilocularis	serine protein kinase ATM	0.1218	0.1691	0.1673
Loa Loa (eye worm)	hypothetical protein	0.1218	0.1691	0.1673
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.2166	0.3228	0.2949
Loa Loa (eye worm)	phosphatidylinositol 3	0.0419	0.0395	0.0375
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2155	0.321	0.321

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 41 uM	Inhibition of human recombinant aromatase expressed in baculovirus/insect cells using 7-methoxy-trifluoromethylcoumarin as substrate after 30 mins by fluorescence-based spectrophotometry	ChEMBL.	22444875

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: CHEMBL2011175

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 1641546