TDR Targets

Basic information

Technical information

TDR Targets ID: 847828
Name: 5-[(butan-2-ylamino)methyl]-1,3-dimethylbenzi midazol-2-one
MW: 247.336 | Formula: C14H21N3O
H donors: 1 H acceptors: 1 LogP: 1.62 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCC(NCc1ccc2c(c1)n(C)c(=O)n2C)C
InChi: 1S/C14H21N3O/c1-5-10(2)15-9-11-6-7-12-13(8-11)17(4)14(18)16(12)3/h6-8,10,15H,5,9H2,1-4H3
InChiKey: XUHZKEVRBHZZRE-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

1,3-dimethyl-5-[(sec-butylamino)methyl]benzimidazol-2-one
1,3-dimethyl-5-[(sec-butylamino)methyl]-2-benzimidazolone
5-[(butan-2-ylamino)methyl]-1,3-dimethyl-benzimidazol-2-one

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 granulosus	expressed conserved protein	0.0093	0.0702	0.0692
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0016	0.0016
Leishmania major	pyruvate kinase	0.0034	0.016	0.0089
Echinococcus multilocularis	hexokinase type 2	0.1115	1	1
Echinococcus granulosus	tumor protein p63	0.0341	0.2953	0.2945
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0016	0.0016
Onchocerca volvulus		0.1115	1	1
Echinococcus multilocularis	hexokinase	0.1115	1	1
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0034	0.016	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0184	0.0173
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.005	0.0311	0.0301
Treponema pallidum	hexokinase (hxk)	0.1115	1	0.5
Trypanosoma brucei	hexokinase	0.1115	1	1
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0037	0.019	0.0156
Loa Loa (eye worm)	pyruvate kinase-PB	0.0023	0.0067	0.0067
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0071	0.3831
Echinococcus multilocularis	pyruvate kinase	0.0034	0.016	0.0149
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0071	0.3831
Entamoeba histolytica	hexokinase 2	0.1115	1	1
Toxoplasma gondii	pyruvate kinase PyK1	0.0034	0.016	0.0149
Giardia lamblia	Pyruvate kinase	0.0034	0.016	1
Onchocerca volvulus	Pyruvate kinase homolog	0.0034	0.016	0.0089
Brugia malayi	Hexokinase family protein	0.1115	1	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0071	0.3831
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0071	0.4191
Entamoeba histolytica	hypothetical protein	0.0036	0.0184	0.0117
Echinococcus multilocularis	expressed conserved protein	0.0093	0.0702	0.0692
Loa Loa (eye worm)	pyruvate kinase	0.0034	0.016	0.016
Entamoeba histolytica	hexokinase 1	0.1115	1	1
Echinococcus granulosus	hexokinase type 2	0.1115	1	1
Schistosoma mansoni	hexokinase	0.1115	1	1
Loa Loa (eye worm)	hypothetical protein	0.0354	0.308	0.308
Entamoeba histolytica	hypothetical protein	0.0036	0.0184	0.0117
Schistosoma mansoni	hypothetical protein	0.0036	0.0184	0.0173
Onchocerca volvulus		0.005	0.0308	0.0238
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0071	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.005	0.0308	0.0308
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0071	0.4191
Loa Loa (eye worm)	hexokinase type II	0.1115	1	1
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0034	0.016	0.0125
Toxoplasma gondii	hexokinase	0.1115	1	1
Echinococcus granulosus	pyruvate kinase	0.0034	0.016	0.0149
Schistosoma mansoni	hypothetical protein	0.0041	0.0227	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0757	0.0757
Echinococcus granulosus	hexokinase	0.1115	1	1
Chlamydia trachomatis	pyruvate kinase	0.0034	0.016	1
Echinococcus granulosus	survival motor neuron protein 1	0.0238	0.2023	0.2014
Loa Loa (eye worm)	pyruvate kinase	0.0034	0.016	0.016
Echinococcus granulosus	metabotropic glutamate receptor 5	0.005	0.0311	0.0301
Onchocerca volvulus		0.0699	0.6219	0.6192
Schistosoma mansoni	patched 1	0.0043	0.0241	0.0231
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0071	0.3831
Loa Loa (eye worm)	hypothetical protein	0.076	0.6774	0.6774
Plasmodium falciparum	pyruvate kinase	0.0034	0.016	0.0149
Onchocerca volvulus		0.1115	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0311	0.0311
Echinococcus granulosus	sterol regulatory element binding protein	0.0043	0.0241	0.0231
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0071	0.3831
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0016	0.0016
Echinococcus granulosus	Protein patched homolog 1	0.0043	0.0241	0.0231
Leishmania major	pyruvate kinase	0.0034	0.016	0.0089
Loa Loa (eye worm)	glutamate receptor	0.0041	0.0225	0.0225
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0034	0.0165	0.0154
Onchocerca volvulus	Hexokinase homolog	0.0699	0.6219	0.6192
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0046	0.0276	0.0266
Loa Loa (eye worm)	pyruvate kinase	0.0034	0.016	0.016
Echinococcus multilocularis	pyruvate kinase	0.0034	0.016	0.0149
Echinococcus multilocularis	Niemann Pick C1 protein	0.0142	0.1144	0.1135
Onchocerca volvulus		0.0049	0.0296	0.0227
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0071	0.0004
Echinococcus multilocularis	hexokinase	0.1115	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0241	0.0241
Plasmodium falciparum	hexokinase	0.1115	1	1
Onchocerca volvulus	Pyruvate kinase homolog	0.0034	0.016	0.0089
Onchocerca volvulus		0.1115	1	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0071	0.0071
Schistosoma mansoni	hypothetical protein	0.0041	0.0227	0.0217
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0041	0.0225	0.0191
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0099	0.0757	0.0694
Schistosoma mansoni	pyruvate kinase	0.0034	0.016	0.0149
Trypanosoma cruzi	hexokinase, putative	0.1115	1	1
Schistosoma mansoni	metabotropic glutamate receptor	0.002	0.0035	0.0024
Brugia malayi	Hexokinase family protein	0.0699	0.6219	0.6206
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0817	0.7292	0.7289
Echinococcus granulosus	hexokinase	0.1115	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0241	1
Schistosoma mansoni	metabotropic glutamate receptor	0.0034	0.0165	0.0154
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0184	0.0173
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0071	0.3831
Echinococcus granulosus	hexokinase	0.1115	1	1
Brugia malayi	Hexokinase family protein	0.0345	0.2993	0.2969
Brugia malayi	Niemann-Pick C1 protein precursor	0.0099	0.0757	0.0725
Leishmania major	hexokinase, putative	0.1115	1	1
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0034	0.016	1
Schistosoma mansoni	survival motor neuron protein	0.0049	0.0296	0.0286
Loa Loa (eye worm)	hexokinase	0.1115	1	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0071	0.0071
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0184	0.0173
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0071	0.0037
Entamoeba histolytica	hypothetical protein	0.0036	0.0184	0.0117
Echinococcus multilocularis	survival motor neuron protein 1	0.0238	0.2023	0.2014
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0034	0.0165	0.0154
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0071	0.3831
Onchocerca volvulus	Pyruvate kinase homolog	0.0034	0.016	0.0089
Brugia malayi	hypothetical protein	0.0238	0.2023	0.1995
Loa Loa (eye worm)	hexokinase	0.0345	0.2993	0.2993
Loa Loa (eye worm)	hypothetical protein	0.0034	0.016	0.016
Entamoeba histolytica	hypothetical protein	0.0036	0.0184	0.0117
Echinococcus granulosus	Niemann Pick C1 protein	0.0142	0.1144	0.1135
Echinococcus multilocularis	tumor protein p63	0.0341	0.2953	0.2945
Schistosoma mansoni	hypothetical protein	0.0041	0.0227	0.0217
Echinococcus multilocularis	pyruvate kinase	0.0027	0.0095	0.0085
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0071	0.3831
Brugia malayi	hypothetical protein	0.0036	0.0184	0.0149
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0016	0.0582
Schistosoma mansoni	hypothetical protein	0.0049	0.0296	0.0286
Schistosoma mansoni	hypothetical protein	0.0041	0.0227	0.0217
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0034	0.016	0.0125
Trypanosoma cruzi	hexokinase, putative	0.1115	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0071	0.0037
Mycobacterium ulcerans	pyruvate kinase	0.0034	0.016	1
Leishmania major	hexokinase, putative	0.1115	1	1
Plasmodium vivax	pyruvate kinase, putative	0.0034	0.016	0.0149
Echinococcus multilocularis	Niemann Pick C1 protein	0.0099	0.0757	0.0747
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.0308	0.0297
Echinococcus granulosus	Niemann Pick C1 protein	0.0099	0.0757	0.0747
Echinococcus granulosus	pyruvate kinase	0.0034	0.016	0.0149
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0016	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0071	0.0071
Trypanosoma brucei	hexokinase, putative	0.1115	1	1
Loa Loa (eye worm)	hexokinase	0.1115	1	1
Brugia malayi	CHE-14 protein	0.0043	0.0241	0.0207
Echinococcus multilocularis	sterol regulatory element binding protein	0.0043	0.0241	0.0231
Echinococcus multilocularis	hexokinase	0.1115	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0354	0.308	0.308
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0043	0.0241	0.0241
Loa Loa (eye worm)	hexokinase	0.0699	0.6219	0.6219
Echinococcus multilocularis	protein patched	0.0043	0.0241	0.0231
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0071	0.0004
Trypanosoma brucei	hexokinase	0.1115	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0071	0.0037
Schistosoma mansoni	pyruvate kinase	0.0034	0.016	0.0149
Plasmodium vivax	hexokinase, putative	0.1115	1	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0016	0.0005
Brugia malayi	hexokinase type II	0.0354	0.308	0.3055
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0016	0.0016
Echinococcus multilocularis	protein dispatched 1	0.0049	0.0296	0.0286
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0329	0.0329
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0101	0.0771	0.0761
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.0296	0.0262
Loa Loa (eye worm)	hypothetical protein	0.0238	0.2023	0.2023

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 847828