TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 326.393 | Formula: C18H22N4O2
H donors: 1 H acceptors: 4 LogP: 3.75 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C1C(Cc2c1c(C)c(c(c2)OCc1[nH]nnn1)C)C1CCCC1
InChi: 1S/C18H22N4O2/c1-10-11(2)17-13(7-14(18(17)23)12-5-3-4-6-12)8-15(10)24-9-16-19-21-22-20-16/h8,12,14H,3-7,9H2,1-2H3,(H,19,20,21,22)
InChiKey: KNYJBEOPQBZEDD-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
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0077	0.1263	0.1418
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0373	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0373	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0373	0.5
Brugia malayi	Bromodomain containing protein	0.013	0.2656	0.2656
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0373	0.0419
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0573	0.0644
Schistosoma mansoni	hypothetical protein	0.0364	0.8734	1
Brugia malayi	Bromodomain containing protein	0.0255	0.5902	0.5902
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0122	0.2435	0.2735
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0373	0.5
Schistosoma mansoni	hypothetical protein	0.0089	0.1578	0.1806
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0089	0.1578	0.1772
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.1166	0.1335
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0077	0.1263	0.1446
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1578	0.1578
Trypanosoma brucei	ISWI complex protein	0.0052	0.0622	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0058	0.0777	0.089
Echinococcus granulosus	zinc finger protein	0.0067	0.1	0.1124
Echinococcus granulosus	geminin	0.0364	0.8734	0.9811
Echinococcus multilocularis	tar DNA binding protein	0.0073	0.1166	0.131
Schistosoma mansoni	hypothetical protein	0.0192	0.4257	0.4874
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0337	0.8045	0.8045
Plasmodium falciparum	importin beta, putative	0.0032	0.0091	0.5
Schistosoma mansoni	hypothetical protein	0.0364	0.8734	1
Echinococcus granulosus	tumor protein p63	0.037	0.8903	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0203	0.4549	0.511
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0058	0.0777	0.089
Loa Loa (eye worm)	hypothetical protein	0.028	0.6566	0.6566
Brugia malayi	PHD-finger family protein	0.0085	0.1472	0.1472
Schistosoma mansoni	zinc finger protein	0.0067	0.1	0.1145
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0373	0.5
Schistosoma mansoni	hypothetical protein	0.0089	0.1578	0.1806
Loa Loa (eye worm)	hypothetical protein	0.024	0.5524	0.5524
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0373	0.0427
Loa Loa (eye worm)	hypothetical protein	0.0138	0.2872	0.2872
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0058	0.0777	0.089
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.1166	0.1335
Echinococcus granulosus	GPCR family 2	0.0089	0.1578	0.1772
Schistosoma mansoni	hypothetical protein	0.0052	0.0622	0.0712
Echinococcus granulosus	importin subunit beta 1	0.0032	0.0091	0.0102
Brugia malayi	RNA binding protein	0.0073	0.1166	0.1166
Loa Loa (eye worm)	bromodomain containing protein	0.006	0.0831	0.0831
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0373	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0122	0.2447	0.2748
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0058	0.0777	0.0873
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0373	0.0373
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0058	0.0777	0.0873
Onchocerca volvulus		0.0054	0.0679	1
Brugia malayi	Importin beta-1 subunit	0.0032	0.0091	0.0091
Brugia malayi	beta-lactamase family protein	0.0042	0.0373	0.0373
Schistosoma mansoni	bromodomain containing protein	0.0215	0.4866	0.5571
Brugia malayi	beta-lactamase family protein	0.0042	0.0373	0.0373
Echinococcus multilocularis	snurportin 1	0.0337	0.8045	0.9037
Brugia malayi	RNA recognition motif domain containing protein	0.0073	0.1166	0.1166
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.1166	0.1335
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0373	0.0427
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.0573	0.0573
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0373	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.028	0.6566	0.6566
Trypanosoma cruzi	ISWI complex protein	0.0052	0.0622	1
Schistosoma mansoni	hypothetical protein	0.0089	0.1578	0.1806
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0373	0.0373
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0573	0.0656
Leishmania major	hypothetical protein, conserved	0.0052	0.0622	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.028	0.6566	0.6566
Entamoeba histolytica	hypothetical protein	0.0122	0.2435	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0412	1	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0271	0.6325	1
Trichomonas vaginalis	esterase, putative	0.0042	0.0373	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.0573	0.0573
Schistosoma mansoni	hypothetical protein	0.0089	0.1578	0.1806
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0573	0.0656
Echinococcus multilocularis	importin subunit beta 1	0.0032	0.0091	0.0102
Schistosoma mansoni	hypothetical protein	0.0337	0.8045	0.9211
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0203	0.4549	0.511
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0058	0.0777	0.0873
Brugia malayi	RNA, U transporter 1	0.009	0.1607	0.1607
Schistosoma mansoni	transcription factor LCR-F1	0.0122	0.2435	0.2788
Echinococcus multilocularis	zinc finger protein	0.0067	0.1	0.1124
Loa Loa (eye worm)	RNA binding protein	0.0073	0.1166	0.1166
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0573	0.0656
Loa Loa (eye worm)	hypothetical protein	0.0192	0.4257	0.4257
Trypanosoma cruzi	ISWI complex protein	0.0052	0.0622	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0091	0.0091
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0089	0.1578	0.1578
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.1166	0.1335
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0073	0.1166	0.1166
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0777	0.0777
Schistosoma mansoni	cellular tumor antigen P53	0.0054	0.0679	0.0777
Brugia malayi	Latrophilin receptor protein 2	0.0089	0.1578	0.1578
Schistosoma mansoni	hypothetical protein	0.0122	0.2435	0.2788
Echinococcus multilocularis	tumor protein p63	0.037	0.8903	1
Entamoeba histolytica	hypothetical protein	0.0122	0.2435	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0089	0.1578	0.1772
Schistosoma mansoni	zinc finger protein	0.0052	0.0622	0.0712
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0373	0.5
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0373	0.5
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0373	0.0373
Brugia malayi	latrophilin 2 splice variant baaae	0.0192	0.4257	0.4257
Brugia malayi	hypothetical protein	0.0122	0.2435	0.2435
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0373	0.0373
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0373	0.5316
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0573	0.0644
Echinococcus multilocularis	geminin	0.0364	0.8734	0.9811
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0373	0.5
Schistosoma mansoni	importin beta-1	0.0032	0.0091	0.0104
Echinococcus granulosus	snurportin 1	0.0337	0.8045	0.9037
Loa Loa (eye worm)	TAR-binding protein	0.0073	0.1166	0.1166
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0089	0.1578	0.1772
Echinococcus granulosus	fetal alzheimer antigen falz	0.0077	0.1263	0.1418
Schistosoma mansoni	hypothetical protein	0.007	0.1094	0.1252
Entamoeba histolytica	hypothetical protein	0.0122	0.2435	0.5
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0373	0.0373
Loa Loa (eye worm)	PHD-finger family protein	0.007	0.1094	0.1094
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0373	0.5
Echinococcus multilocularis	GPCR, family 2	0.0089	0.1578	0.1772
Toxoplasma gondii	ABC1 family protein	0.0042	0.0373	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0679	0.0679
Echinococcus granulosus	tar DNA binding protein	0.0073	0.1166	0.131
Echinococcus granulosus	histone lysine methyltransferase setb	0.0058	0.0777	0.0873
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0089	0.1578	0.1578
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0373	0.0373
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0089	0.1578	0.1772
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0373	0.0373
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0373	0.5
Brugia malayi	TAR-binding protein	0.0073	0.1166	0.1166
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0122	0.2447	0.2748
Entamoeba histolytica	hypothetical protein	0.0122	0.2435	0.5
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0058	0.0777	0.089
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0573	0.0644
Brugia malayi	Calcitonin receptor-like protein seb-1	0.028	0.6566	0.6566
Loa Loa (eye worm)	hypothetical protein	0.0145	0.3041	0.3041
Loa Loa (eye worm)	transcription factor SMAD2	0.0412	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0573	0.0644
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0373	0.0419
Brugia malayi	beta-lactamase	0.0042	0.0373	0.0373
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.1166	0.1335
Mycobacterium ulcerans	lipase LipD	0.0042	0.0373	0.5
Loa Loa (eye worm)	hypothetical protein	0.013	0.2663	0.2663
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0122	0.2435	0.2735

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: CHEMBL3278492

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 1914204