TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 203.28 | Formula: C13H17NO
H donors: 1 H acceptors: 0 LogP: 1.97 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)C1CCCNC2C1
InChi: 1S/C13H17NO/c1-15-10-4-5-11-12(8-10)9-3-2-6-14-13(11)7-9/h4-5,8-9,13-14H,2-3,6-7H2,1H3
InChiKey: UQJJRYFXFFOINV-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
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0022	0.1823	0.207
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0047	0.881	0.898
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.3475	0.3945
Loa Loa (eye worm)	hypothetical protein	0.0035	0.5429	0.5429
Schistosoma mansoni	ferritin	0.0026	0.2873	0.3261
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0049	0.9173	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0036	0.5731	0.4535
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.5413	0.6145
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0036	0.5731	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.2712	0.3078
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.002	0.106	0.1204
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.2701	0.3066
Schistosoma mansoni	hypothetical protein	0.0016	0.0125	0.0142
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.881	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0047	0.881	0.9604
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0049	0.9173	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	1	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0125	0.0125
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0125	0.0125
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0049	0.9173	1
Giardia lamblia	GTOR	0.0047	0.881	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.2701	0.3066
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.6098	0.6922
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0125	0.0142
Schistosoma mansoni	apoferritin-2	0.0026	0.2873	0.3261
Onchocerca volvulus		0.0049	0.9173	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.416	0.4722
Brugia malayi	AMP-binding enzyme family protein	0.0049	0.9173	0.9173
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.5413	0.6145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.6098	0.6922
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.6098	0.6922
Leishmania major	4-coumarate:coa ligase-like protein	0.0049	0.9173	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0049	0.9173	1
Schistosoma mansoni	hypothetical protein	0.0035	0.5429	0.6163
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.2701	0.3066
Mycobacterium ulcerans	acyl-CoA synthetase	0.0049	0.9173	1
Brugia malayi	AMP-binding enzyme family protein	0.0049	0.9173	0.9173
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0047	0.881	1
Echinococcus granulosus	expressed protein	0.0026	0.2873	0.3261
Schistosoma mansoni	apoferritin-2	0.0026	0.2873	0.3261
Schistosoma mansoni	ferritin	0.0026	0.2873	0.3261
Plasmodium falciparum	acyl-CoA synthetase	0.0036	0.5731	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0125	0.0142
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.5175	0.3653
Brugia malayi	hypothetical protein	0.0036	0.5609	0.5609
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.5175	0.3653
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0047	0.881	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0125	0.0142
Echinococcus granulosus	GPCR family 2	0.0016	0.0125	0.0142
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0125	0.0125
Loa Loa (eye worm)	phosphatidylinositol 3	0.0047	0.881	0.881
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0125	0.0142
Mycobacterium ulcerans	hypothetical protein	0.0049	0.9173	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0047	0.881	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.9173	0.9173
Brugia malayi	AMP-binding enzyme family protein	0.0049	0.9173	0.9173
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0047	0.881	0.898
Trichomonas vaginalis	ferritin, putative	0.0026	0.2873	0.3261
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.5413	0.6145
Loa Loa (eye worm)	hypothetical protein	0.0036	0.5731	0.5731
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.2712	0.3078
Schistosoma mansoni	ferritin light chain	0.0026	0.2873	0.3261
Loa Loa (eye worm)	hypothetical protein	0.0036	0.5731	0.5731
Loa Loa (eye worm)	hypothetical protein	0.0052	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.5609	0.6367
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0047	0.881	0.881
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0049	0.9173	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.9173	0.9173
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0047	0.881	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0049	0.9173	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.3475	0.3945
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.5175	0.3653
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.5429	0.5429
Echinococcus multilocularis	expressed protein	0.0026	0.2873	0.3261
Plasmodium vivax	acyl-CoA synthetase, putative	0.0036	0.5731	0.5
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0047	0.881	1
Schistosoma mansoni	ferritin	0.0026	0.2873	0.3261
Schistosoma mansoni	hypothetical protein	0.0036	0.5609	0.6367
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0047	0.881	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0049	0.9173	1
Echinococcus granulosus	ferritin	0.0026	0.2873	0.3261
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0047	0.881	0.9604
Schistosoma mansoni	hypothetical protein	0.0016	0.0125	0.0142
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0038	0.6109	0.6934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.2712	0.3078
Loa Loa (eye worm)	hypothetical protein	0.0036	0.5731	0.5731
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.3397	0.3855
Schistosoma mansoni	hypothetical protein	0.0016	0.0125	0.0142
Treponema pallidum	bacterioferrin (TpF1)	0.0026	0.2873	0.5
Schistosoma mansoni	ferritin light chain	0.0026	0.2873	0.3261
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.5413	0.6145
Schistosoma mansoni	ferritin	0.0026	0.2873	0.3261
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.4446	0.5047
Trypanosoma cruzi	target of rapamycin kinase 3	0.0038	0.6109	0.6934
Loa Loa (eye worm)	hypothetical protein	0.0036	0.5731	0.5731
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0125	0.0125
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.881	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.5413	0.6145
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0026	0.2873	0.5
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0047	0.881	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0036	0.5731	0.4535
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	1	1
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0038	0.6109	0.6659
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.3397	0.3855
Loa Loa (eye worm)	hypothetical protein	0.0036	0.5731	0.5731
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0049	0.9173	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0049	0.9173	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0049	0.9173	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.3475	0.3945
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0035	0.5413	0.5
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.5609	0.6367
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.6098	0.6922
Mycobacterium ulcerans	acyl-CoA synthetase	0.0049	0.9173	1
Echinococcus multilocularis	ferritin	0.0026	0.2873	0.3261
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.6098	0.6922
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.6872	0.78
Schistosoma mansoni	hypothetical protein	0.0016	0.0125	0.0142
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0049	0.9173	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0049	0.9173	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.5609	0.6367
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.881	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.5413	0.6145
Loa Loa (eye worm)	hypothetical protein	0.0049	0.9173	0.9173
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.5413	0.6145
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.5175	0.3653
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0125	0.0142
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0049	0.9173	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.2712	0.3078
Mycobacterium ulcerans	acyl-CoA synthetase	0.0049	0.9173	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: CHEMBL1180779

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 1159532