TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 294.816 | Formula: C17H23ClO2
H donors: 0 H acceptors: 1 LogP: 5.88 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)c1ccccc1Cl)C(C)C
InChi: 1S/C17H23ClO2/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16H,8-10H2,1-3H3/t12-,13+,16-/m1/s1
InChiKey: ZUIFMWSKJRWNKP-DVOMOZLQSA-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	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0072	0.3089	0.6333
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0021	0.0103	0.1022
Loa Loa (eye worm)	phosphatidylinositol 3	0.003	0.063	0.0715
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.2572	0.2572
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0102	0.4878	1
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.0019	0	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0021	0.0103	0.1022
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.2572	0.2572
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.0019	0	0.5
Schistosoma mansoni	protein kinase	0.0024	0.0275	0.0275
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0021	0.0103	0.0103
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0275	0.0563
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0275	0.0312
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0037	0.1009	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0025	0.0302	0.0618
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.2572	0.2572
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0102	0.4878	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0021	0.0103	0.0117
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0021	0.0103	0.0103
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0021	0.0103	0.0211
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0037	0.1009	0.2068
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.2572	0.2572
Entamoeba histolytica	HEAT repeat domain containing protein	0.0024	0.0275	0.0563
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.2572	0.2572
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0087	0.3979	0.8156
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0189	1	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0102	0.4878	1
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.2572	0.5272
Trypanosoma cruzi	hypothetical protein, conserved	0.0025	0.0302	0.0618
Echinococcus granulosus	tar DNA binding protein	0.0063	0.2572	0.2572
Loa Loa (eye worm)	SCY1 protein kinase	0.0024	0.0275	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0068	0.283	0.3211
Giardia lamblia	GTOR	0.0021	0.0103	0.0551
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Brugia malayi	TAR-binding protein	0.0063	0.2572	0.5272
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0102	0.4878	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0037	0.1009	0.2068
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0072	0.3089	0.3089
Treponema pallidum	DNA ligase (lig)	0.0019	0	0.5
Loa Loa (eye worm)	phosphatidylinositol 3	0.0032	0.074	0.084
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0037	0.1009	0.2068
Trypanosoma cruzi	target of rapamycin kinase 3	0.0021	0.0103	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0906	0.1028
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Brugia malayi	105-kDa kinase-like protein	0.0024	0.0275	0.0563
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0082	0.3691	0.7566
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Echinococcus multilocularis	scy1(yeast) protein kinase-like	0.0024	0.0275	0.0275
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0021	0.0103	0.0211
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.003	0.063	0.1292
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0189	1	1
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0024	0.0272	0.0558
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0032	0.074	0.7337
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0102	0.4878	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0021	0.0103	0.0211
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.074	0.1517
Leishmania major	hypothetical protein, conserved	0.0024	0.0275	0.2693
Brugia malayi	RNA binding protein	0.0063	0.2572	0.5272
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0021	0.0103	0.0103
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0071	0.3057	0.6267
Trypanosoma brucei	hypothetical protein, conserved	0.0024	0.0275	0.2722
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0021	0.0103	0.3753
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0032	0.074	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.2572	0.2572
Loa Loa (eye worm)	RNA binding protein	0.0063	0.2572	0.2919
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.2572	0.2919
Entamoeba histolytica	hypothetical protein	0.0082	0.3691	0.7566
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Plasmodium vivax	protein kinase, putative	0.0024	0.0275	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0037	0.1009	0.2068
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0037	0.1009	0.2068
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0072	0.3089	0.3089
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0037	0.1009	0.2068
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0102	0.4878	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0047	0.1642	0.3366
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0037	0.1009	0.2068
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0021	0.0103	0.0211
Toxoplasma gondii	SCY kinase (incomplete catalytic triad)	0.0024	0.0275	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0068	0.283	0.283
Loa Loa (eye worm)	phosphatidylinositol 3	0.0169	0.8812	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0068	0.283	0.5801
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0096	0.45	0.9224
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0072	0.3089	0.6333
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0037	0.1009	0.1009
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0272	0.0558
Onchocerca volvulus		0.0019	0	0.5
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.0019	0	0.5
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0102	0.4878	1
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0051	0.187	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0275	0.0312
Echinococcus granulosus	N terminal kinase protein like	0.0024	0.0275	0.0275
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0021	0.0103	0.0211
Chlamydia trachomatis	DNA ligase	0.0019	0	0.5
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0027	0.0424	0.2265
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0072	0.3089	0.6333
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0068	0.283	0.283
Entamoeba histolytica	HEAT repeat domain containing protein	0.0025	0.0302	0.0618
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0072	0.3089	0.3089
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0021	0.0103	0.1022
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0071	0.3057	0.6267
Plasmodium falciparum	protein kinase, putative	0.0024	0.0275	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0021	0.0103	0.0211
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.2572	0.2919
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0021	0.0103	0.1022

Activities

Activity type	Activity value	Assay description	Source	Reference
-logMIC (functional)	= 1.97	Antimicrobial activity against Candida albicans MTCC 227 after 2 days by serial dilution method	ChEMBL.	No reference
-logMIC (functional)	= 2.1	Antimicrobial activity against Escherichia coli MTCC 739 after 24 hr by serial dilution method	ChEMBL.	No reference

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: CHEMBL2236885

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 1800199