TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 378.507 | Formula: C24H30N2O2
H donors: 1 H acceptors: 2 LogP: 4.04 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCNC(=O)C1(C)CCCN(C1)C(=O)C(c1ccccc1)c1ccccc1
InChi: 1S/C24H30N2O2/c1-3-16-25-23(28)24(2)15-10-17-26(18-24)22(27)21(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21H,3,10,15-18H2,1-2H3,(H,25,28)
InChiKey: MBDLFEBIZWNNPQ-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	PIKK family atypical protein kinase	0.0038	0.075	0.7204
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.046	0.4418
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0676	0.6498
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0047	0.1041	1
Loa Loa (eye worm)	TAR-binding protein	0.0132	0.357	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.1041	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0118	0.0022
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.357	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0385	0.3702
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.075	0.7204
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0047	0.1041	0.2721
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0676	0.6498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0386	0.3713
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0095	0.0916
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0047	0.1041	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0118	0.0064
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0386	0.3713
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0697	0.1732
Onchocerca volvulus		0.0051	0.1138	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0132	0.357	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0118	0.0064
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0035	0.0676	0.167
Echinococcus granulosus	GPCR family 2	0.0017	0.0118	0.0022
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0038	0.0751	0.6934
Schistosoma mansoni	hypothetical protein	0.0036	0.0697	0.1732
Loa Loa (eye worm)	RNA binding protein	0.0132	0.357	1
Trichomonas vaginalis	rotamase, putative	0.0034	0.0651	0.6252
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0047	0.1041	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0118	0.0064
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0118	0.0064
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.1041	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0035	0.0676	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0676	0.6498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.075	0.7204
Echinococcus granulosus	expressed protein	0.0035	0.0676	0.0586
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0038	0.0751	0.6934
Brugia malayi	RNA binding protein	0.0132	0.357	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0126	0.3397	0.9504
Trypanosoma cruzi	target of rapamycin kinase 3	0.0038	0.0751	0.6934
Schistosoma mansoni	rotamase	0.0035	0.0676	0.167
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0034	0.0651	0.5874
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0542	0.5205
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0573	0.5501
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.1196	0.3169
Brugia malayi	TAR-binding protein	0.0132	0.357	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0468	0.4499
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0676	0.6498
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.357	1
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0034	0.0651	0.5874
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0047	0.1041	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0468	0.4499
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1138	0.3001
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.046	0.4418
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.1041	1
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0034	0.0651	0.5874
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0095	0.0916
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0047	0.1041	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0118	0.0022
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0676	0.6498
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.357	1
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0034	0.0651	0.5874
Loa Loa (eye worm)	phosphatidylinositol 3	0.0047	0.1041	0.2721
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0385	0.3702
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.002	0.0209	0.1204
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.357	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0047	0.1041	1
Schistosoma mansoni	cellular tumor antigen P53	0.0051	0.1138	0.3001
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0697	0.1732
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1196	0.3169
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0047	0.1041	0.0955
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0118	0.0064
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0095	0.0916
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0676	0.6498
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0118	0.0022
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.1196	0.3169
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0118	0.0064
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0035	0.0676	0.167
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0468	0.4499
Trichomonas vaginalis	rotamase, putative	0.0035	0.0676	0.6491
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0386	0.3713
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0833	0.8002
Echinococcus multilocularis	tar DNA binding protein	0.0132	0.357	0.3508
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0095	0.0916
Giardia lamblia	GTOR	0.0047	0.1041	0.5
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0047	0.1041	0.0955
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0047	0.1041	1
Brugia malayi	MH2 domain containing protein	0.0126	0.3397	0.9504
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.075	0.7204
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0022	0.0291	0.207
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0047	0.1041	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0118	0.0022
Loa Loa (eye worm)	MH2 domain-containing protein	0.0126	0.3397	0.9504
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.357	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0385	0.3702
Echinococcus multilocularis	expressed protein	0.0035	0.0676	0.0586
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.075	0.7204
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0047	0.1041	0.2721
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0676	0.6498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0095	0.0916
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.1196	0.3169
Schistosoma mansoni	hypothetical protein	0.0017	0.0118	0.0064
Schistosoma mansoni	hypothetical protein	0.0017	0.0118	0.0064
Echinococcus granulosus	tar DNA binding protein	0.0132	0.357	0.3508
Echinococcus multilocularis	tumor protein p63	0.0346	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0676	0.6491
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0386	0.3713
Brugia malayi	RNA recognition motif domain containing protein	0.0132	0.357	1
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0118	0.0022

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	20.5962 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	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: CHEMBL2356891

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 1759110