TDR Targets

Basic information

Technical information

TDR Targets ID: 1659150
Name: 2,5,6-trimethyl-1-[3-(phenoxy)propyl]benzimid azole
MW: 294.391 | Formula: C19H22N2O
H donors: 0 H acceptors: 1 LogP: 4.53 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cc2nc(n(c2cc1C)CCCOc1ccccc1)C
InChi: 1S/C19H22N2O/c1-14-12-18-19(13-15(14)2)21(16(3)20-18)10-7-11-22-17-8-5-4-6-9-17/h4-6,8-9,12-13H,7,10-11H2,1-3H3
InChiKey: CUQJDGARYJCBDK-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

ZINC06767828

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
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0105	0.2899	0.2765
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0553	0.0925
Trichomonas vaginalis	set domain proteins, putative	0.0245	0.7513	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.2628	0.4888
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0067	0.1671	0.3029
Schistosoma mansoni	transcription factor LCR-F1	0.0113	0.3157	0.5871
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0049	0.1075	0.1999
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0048	0.1035	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0345	0.0162
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0345	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0345	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.0253	0.036
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.2628	0.4829
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0049	0.1075	0.1907
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0105	0.2899	0.2875
Schistosoma mansoni	hypothetical protein	0.0033	0.0553	0.1028
Brugia malayi	acetyltransferase, GNAT family protein	0.0157	0.4601	0.4583
Loa Loa (eye worm)	hypothetical protein	0.0321	1	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1932	0.1779
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0804	0.063
Brugia malayi	Pre-SET motif family protein	0.0216	0.6537	0.6525
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.2628	0.4829
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0253	0.047
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0553	0.0374
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0553	0.0925
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0481	0.0789
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0038	0.0719	0.1238
Schistosoma mansoni	bromodomain containing protein	0.0071	0.1796	0.334
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0105	0.2899	0.2875
Echinococcus multilocularis	zinc finger protein	0.0025	0.0273	0.0398
Schistosoma mansoni	hypothetical protein	0.018	0.5378	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0481	0.1966
Entamoeba histolytica	hypothetical protein	0.0113	0.3157	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0096	0.2628	0.2603
Brugia malayi	Bromodomain containing protein	0.0044	0.0925	0.0894
Leishmania major	hypothetical protein, conserved	0.0027	0.0345	1
Echinococcus multilocularis	geminin	0.018	0.5378	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0481	0.0894
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.2628	0.4829
Echinococcus granulosus	GPCR family 2	0.0033	0.0553	0.0925
Brugia malayi	latrophilin 2 splice variant baaae	0.0072	0.1813	0.1785
Echinococcus granulosus	geminin	0.018	0.5378	1
Echinococcus granulosus	zinc finger protein	0.0025	0.0273	0.0398
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0553	0.0374
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0253	0.036
Echinococcus granulosus	histone acetyltransferase KAT2B	0.015	0.4377	0.8118
Giardia lamblia	Histone acetyltransferase GCN5	0.0042	0.0829	0.5
Schistosoma mansoni	zinc finger protein	0.0025	0.0273	0.0507
Plasmodium falciparum	histone acetyltransferase GCN5	0.0042	0.0829	1
Entamoeba histolytica	hypothetical protein	0.0113	0.3157	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.0345	1
Entamoeba histolytica	hypothetical protein	0.0113	0.3157	1
Schistosoma mansoni	hypothetical protein	0.0033	0.0553	0.1028
Brugia malayi	hypothetical protein	0.0113	0.3157	0.3134
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0096	0.2628	0.2489
Brugia malayi	PHD-finger family protein	0.003	0.0459	0.0426
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0113	0.3157	0.5823
Echinococcus granulosus	histone lysine methyltransferase setb	0.0049	0.1075	0.1907
Schistosoma mansoni	hypothetical protein	0.018	0.5378	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1813	0.1658
Brugia malayi	hypothetical protein	0.0027	0.0345	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1077	0.0908
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0067	0.1671	0.3029
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0061	0.0114
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0553	0.0925
Loa Loa (eye worm)	hypothetical protein	0.0105	0.2899	0.2765
Onchocerca volvulus		0.0245	0.7513	0.7388
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0113	0.3157	0.5823
Loa Loa (eye worm)	acetyltransferase	0.0157	0.4601	0.4499
Schistosoma mansoni	hypothetical protein	0.0113	0.3157	0.5871
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0553	0.0521
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1075	0.0906
Schistosoma mansoni	hypothetical protein	0.0022	0.0186	0.0346
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0553	0.0521
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0048	0.1035	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.2628	0.4888
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.2628	0.4829
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0157	0.4601	0.8556
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.2628	0.4888
Schistosoma mansoni	hypothetical protein	0.0033	0.0553	0.1028
Schistosoma mansoni	hypothetical protein	0.0072	0.1813	0.3372
Brugia malayi	Pre-SET motif family protein	0.0031	0.0481	0.0448
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0049	0.1075	0.1999
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0157	0.4601	0.8539
Schistosoma mansoni	hypothetical protein	0.0033	0.0553	0.1028
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0481	0.0894
Plasmodium vivax	SET domain protein, putative	0.0031	0.0481	0.1966
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0553	0.0925
Loa Loa (eye worm)	hypothetical protein	0.0047	0.101	0.084
Onchocerca volvulus		0.0321	1	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0061	0.0114
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0048	0.1035	0.1832
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0216	0.6537	0.6471
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0038	0.0719	0.1238
Brugia malayi	Bromodomain containing protein	0.0084	0.2205	0.2178
Loa Loa (eye worm)	bromodomain containing protein	0.0023	0.0206	0.0021
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0553	0.0925
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0444	0.0719
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0048	0.1035	1
Entamoeba histolytica	hypothetical protein	0.0113	0.3157	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: CHEMBL2098007

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 1659150