TDR Targets

Basic information

Technical information

TDR Targets ID: 305753
Name: 3-[2-(1,3-benzoxazol-2-yl)ethyl]-6-methyl-5-p ropyl-1H-pyridin-2-one
MW: 296.364 | Formula: C18H20N2O2
H donors: 1 H acceptors: 3 LogP: 4.66 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCCc1cc(CCc2nc3c(o2)cccc3)c(nc1C)O
InChi: 1S/C18H20N2O2/c1-3-6-13-11-14(18(21)19-12(13)2)9-10-17-20-15-7-4-5-8-16(15)22-17/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,19,21)
InChiKey: ZCUWVQRLBUSERV-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

3-[2-(1,3-benzoxazol-2-yl)ethyl]-6-methyl-5-propyl-2-pyridone
3-[2-(Benzoxazol-2-yl)ethyl]-5-n-propyl-6-methylpyridin-2(1H)-one
AIDS-005199
AIDS005199
2-Pyridinone derivative 47

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Human immunodeficiency virus 1	Human immunodeficiency virus type 1 reverse transcriptase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium yoelii	integrase-related	Get druggable targets OG5_139608	All targets in OG5_139608
Trypanosoma brucei	RNA helicase, putative	Get druggable targets OG5_139608	All targets in OG5_139608
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_139608	All targets in OG5_139608
Trypanosoma congolense	RNA helicase, putative	Get druggable targets OG5_139608	All targets in OG5_139608

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
Plasmodium vivax	serine/threonine kinase-1, putative	0.0497	0.6756	0.5
Mycobacterium leprae	Conserved hypothetical protein	0.0094	0.0863	0.5
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0094	0.0863	0.0455
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0094	0.0863	0.4221
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.006	0.0362	0.0119
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0094	0.0863	0.5212
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0075	0.0582	0.0862
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0094	0.0863	0.4221
Schistosoma mansoni	hypothetical protein	0.01	0.0952	0.112
Schistosoma mansoni	amine GPCR	0.0519	0.7078	1
Loa Loa (eye worm)	hypothetical protein	0.0158	0.1802	0.1595
Schistosoma mansoni	lamin	0.0111	0.1119	0.1362
Schistosoma mansoni	hypothetical protein	0.0094	0.0863	0.0991
Echinococcus multilocularis		0.0064	0.043	0.0636
Echinococcus multilocularis		0.0491	0.6669	0.9872
Schistosoma mansoni	lipoxygenase	0.0053	0.027	0.0131
Echinococcus multilocularis	mitogen activated protein kinase	0.0207	0.2516	0.3725
Schistosoma mansoni	protein kinase	0.0089	0.0788	0.0883
Leishmania major	protein kinase, putative	0.0497	0.6756	1
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0094	0.0863	0.4221
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0207	0.2516	0.3133
Echinococcus multilocularis	tumor protein p63	0.039	0.5192	0.7686
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0094	0.0863	0.5212
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0065	0.0437	0.2136
Loa Loa (eye worm)	cytochrome P450 family protein	0.0175	0.2044	0.1844
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0094	0.0863	0.5212
Schistosoma mansoni	cytochrome P450	0.0094	0.0863	0.0991
Loa Loa (eye worm)	CYP4Cod1	0.0175	0.2044	0.1844
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0094	0.0863	0.5212
Schistosoma mansoni	serine/threonine protein kinase	0.0497	0.6756	0.9533
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0109	0.108	0.0855
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0207	0.2516	0.3291
Giardia lamblia	Kinase, CMGC CLK	0.0497	0.6756	1
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0497	0.6756	1
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0094	0.0863	0.5212
Brugia malayi	intermediate filament protein	0.0111	0.1119	0.1119
Brugia malayi	hypoxia-induced factor 1	0.0146	0.1623	0.1623
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0075	0.0582	0.0231
Echinococcus multilocularis		0.0094	0.0863	0.1278
Echinococcus granulosus	cytochrome P450 2K1	0.0094	0.0863	0.1278
Brugia malayi	Cytochrome P450 family protein	0.0175	0.2044	0.2044
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0094	0.0863	0.5212
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0497	0.6756	1
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0094	0.0863	0.4221
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0094	0.0863	0.4221
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0094	0.0863	0.5212
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0719	1	1
Echinococcus granulosus	protein kinase	0.0064	0.043	0.0636
Schistosoma mansoni	cellular tumor antigen P53	0.0057	0.0325	0.0211
Schistosoma mansoni	serine/threonine protein kinase	0.0207	0.2516	0.3388
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0094	0.0863	0.4221
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0075	0.0582	0.0862
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0325	0.008
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0582	0.0345
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0065	0.0437	0.0646
Echinococcus granulosus	lamin dm0	0.0111	0.1119	0.1656
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0094	0.0863	0.0675
Brugia malayi	hypothetical protein	0.0158	0.1802	0.1802
Echinococcus granulosus	mitogen activated protein kinase 3	0.0207	0.2516	0.3725
Brugia malayi	Intermediate filament tail domain containing protein	0.0111	0.1119	0.1119
Brugia malayi	Cytochrome P450 family protein	0.0175	0.2044	0.2044
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0497	0.6756	1
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0094	0.0863	0.5212
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0094	0.0863	0.5212
Trypanosoma brucei	protein kinase, putative	0.0207	0.2516	0.3133
Schistosoma mansoni	protein kinase	0.0064	0.043	0.0363
Trypanosoma brucei	kinetoplastid kinetochore protein 19	0.0497	0.6756	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0065	0.0437	0.0373
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0094	0.0863	0.5212
Trichomonas vaginalis	CMGC family protein kinase	0.0497	0.6756	1
Echinococcus multilocularis	dual specificity protein kinase clk2	0.0497	0.6756	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0053	0.027	0.0399
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0121	0.1255	0.1255
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0094	0.0863	0.5212
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0121	0.1255	1
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0094	0.0863	0.4221
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0207	0.2516	0.2328
Echinococcus granulosus	ubiquitin specific protease 41	0.0075	0.0582	0.0862
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0094	0.0863	0.4221
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0207	0.2516	0.3291
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0121	0.1255	0.1857
Leishmania major	cytochrome p450-like protein	0.0094	0.0863	0.0675
Echinococcus granulosus	lamin	0.0111	0.1119	0.1656
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0094	0.0863	0.5212
Loa Loa (eye worm)	intermediate filament protein	0.0111	0.1119	0.0894
Mycobacterium leprae	putative cytochrome p450	0.0094	0.0863	0.5
Echinococcus granulosus	serine:threonine protein kinase mig 15	0.0083	0.0702	0.1039
Onchocerca volvulus		0.0057	0.0325	0.2901
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0075	0.0582	0.0584
Echinococcus granulosus	dual specificity protein kinase clk2	0.0497	0.6756	1
Echinococcus multilocularis	lamin	0.0111	0.1119	0.1656
Trypanosoma cruzi	cytochrome P450, putative	0.0175	0.2044	0.2368
Echinococcus granulosus	tumor protein p63	0.039	0.5192	0.7686
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0094	0.0863	0.4221
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0121	0.1255	0.6137
Echinococcus granulosus	mitogen activated protein kinase	0.0207	0.2516	0.3725
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0121	0.1255	0.1295
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0094	0.0863	0.5212
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0065	0.0437	0.0646
Brugia malayi	MAP kinase sur-1	0.0207	0.2516	0.2516
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1089	0.0864
Leishmania major	protein kinase, putative	0.0497	0.6756	1
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0094	0.0863	0.5212
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0207	0.2516	0.3725
Leishmania major	cytochrome p450-like protein	0.0175	0.2044	0.2544
Loa Loa (eye worm)	cytochrome P450	0.0094	0.0863	0.0633
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0075	0.0582	0.0582
Trichomonas vaginalis	CMGC family protein kinase	0.0207	0.2516	0.3133
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0497	0.6756	1
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0094	0.0863	0.5212
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0094	0.0863	0.4221
Schistosoma mansoni	serine/threonine protein kinase	0.0497	0.6756	0.9533
Echinococcus granulosus	intermediate filament protein	0.0111	0.1119	0.1656
Loa Loa (eye worm)	STE/STE20/MSN protein kinase	0.0064	0.043	0.0188
Loa Loa (eye worm)	cytochrome P450 family protein	0.0175	0.2044	0.1844
Echinococcus multilocularis	lamin dm0	0.0111	0.1119	0.1656
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0065	0.0437	0.2136
Brugia malayi	cytochrome P450	0.0094	0.0863	0.0863
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0207	0.2516	0.3133
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0094	0.0863	0.5212
Schistosoma mansoni	aldehyde dehydrogenase	0.0065	0.0437	0.0373
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0207	0.2516	0.3133
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0276	0.0031
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0094	0.0863	0.4221
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0207	0.2516	0.3133
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0094	0.0863	0.4221
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0094	0.0863	0.4221
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0094	0.0863	0.5212
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0094	0.0863	0.4221
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0094	0.0863	0.5212
Schistosoma mansoni	intermediate filament proteins	0.0111	0.1119	0.1362
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0075	0.0582	0.0862
Plasmodium falciparum	protein serine/threonine kinase-1	0.0497	0.6756	0.5
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0094	0.0863	0.0455
Trypanosoma brucei	kinetoplastid kinetochore protein 10	0.0497	0.6756	1
Leishmania major	cytochrome p450-like protein	0.0094	0.0863	0.0675
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0175	0.2044	1
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0094	0.0863	0.5212
Brugia malayi	Cytochrome P450 family protein	0.0094	0.0863	0.0863
Echinococcus granulosus	hypothetical protein	0.0491	0.6669	0.9872
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0054	0.0276	0.0408
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0094	0.0863	0.4221
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0146	0.1623	0.1412
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0094	0.0863	0.4221
Brugia malayi	cytoplasmic intermediate filament protein	0.006	0.0362	0.0362
Trypanosoma brucei	cytochrome P450, putative	0.0175	0.2044	0.2368
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0094	0.0863	0.0675
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0094	0.0863	0.4221
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0111	0.1119	0.0894
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0207	0.2516	0.3133
Loa Loa (eye worm)	cytochrome P450 family protein	0.019	0.2262	0.2067
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0121	0.1255	0.1857
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1119	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0671	0.0436
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0094	0.0863	0.4221
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0094	0.0863	0.4221
Giardia lamblia	Kinase, CMGC MAPK	0.0207	0.2516	0.3133
Trypanosoma brucei	RNA helicase, putative	0.01	0.0952	0.0599
Brugia malayi	Cytochrome P450 family protein	0.019	0.2262	0.2262
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0207	0.2516	0.3291
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0075	0.0582	0.0862
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0121	0.1255	0.6137
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.0497	0.6756	0.6674
Brugia malayi	probable protein kinase	0.0089	0.0788	0.0788
Trichomonas vaginalis	CMGC family protein kinase	0.0207	0.2516	0.3133
Echinococcus multilocularis	ubiquitin specific protease 41	0.0075	0.0582	0.0862
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0094	0.0863	0.5212
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0094	0.0863	0.0455
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0121	0.1255	0.1559
Trypanosoma cruzi	cytochrome P450, putative	0.0175	0.2044	0.2368
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0094	0.0863	0.0455
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0053	0.027	0.0399
Echinococcus multilocularis	musashi	0.0111	0.1119	0.1656
Trichomonas vaginalis	CMGC family protein kinase	0.0207	0.2516	0.3133
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0094	0.0863	0.4221
Loa Loa (eye worm)	hypothetical protein	0.0491	0.6669	0.6585
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0065	0.0437	0.2136
Trichomonas vaginalis	CMGC family protein kinase	0.0207	0.2516	0.3133
Schistosoma mansoni	lamin	0.0111	0.1119	0.1362
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0075	0.0582	0.5
Onchocerca volvulus		0.0111	0.1119	1
Onchocerca volvulus		0.0111	0.1119	1
Toxoplasma gondii	cell-cycle-associated protein kinase CLK, putative	0.0497	0.6756	1
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0075	0.0582	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0702	0.0467
Brugia malayi	Protein kinase domain containing protein	0.0497	0.6756	0.6756
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0054	0.0276	0.0408
Brugia malayi	PAS domain containing protein	0.0047	0.0179	0.0179

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.083 uM	Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)	ChEMBL.	7683054
IC50 (binding)	= 0.083 uM	Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template)	ChEMBL.	7683054

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

PubChem: 454830

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 305753