TDR Targets

Basic information

Technical information

TDR Targets ID: 457103
Name: 4,6-dimethyl-2,3,4,9-tetrahydropyrido[3,4-b]i ndol-1-one
MW: 214.263 | Formula: C13H14N2O
H donors: 2 H acceptors: 1 LogP: 2.39 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc2c(c1)c1C(C)CNC(=O)c1[nH]2
InChi: 1S/C13H14N2O/c1-7-3-4-10-9(5-7)11-8(2)6-14-13(16)12(11)15-10/h3-5,8,15H,6H2,1-2H3,(H,14,16)
InChiKey: CPENWIJUXFAOFN-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

4,6-dimethyl-2,3,4,9-tetrahydro-$b-carbolin-1-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
Loa Loa (eye worm)	hypothetical protein	0.0026	0.02	0.1859
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0026	0.0246
Toxoplasma gondii	short chain dehydrogenase family protein, putative	0.0054	0.0557	0.0148
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0033	0.0165
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.1075	0.1081
Brugia malayi	TAR-binding protein	0.0062	0.0658	0.6121
Plasmodium falciparum	3-oxoacyl-[acyl-carrier-protein] reductase	0.0054	0.0557	0.0148
Echinococcus multilocularis	3 oxoacyl acyl carrier protein reductase	0.0054	0.0557	0.056
Entamoeba histolytica	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0054	0.0557	1
Schistosoma mansoni	lamin	0.0026	0.0206	0.1042
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0054	0.0557	0.675
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0054	0.0557	0.0148
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.1075	0.1081
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.005	0.0469
Echinococcus multilocularis	lamin	0.0026	0.0206	0.0207
Schistosoma mansoni	P2X receptor subunit	0.0135	0.1575	0.7974
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0206	0.1916
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.1075	0.5439
Brugia malayi	Serine/threonine protein phosphatase 2B catalytic subunit 2	0.0043	0.0415	0.3865
Echinococcus granulosus	geminin	0.0166	0.1976	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0408	0.3793
Echinococcus granulosus	lamin dm0	0.0026	0.0206	0.1042
Trypanosoma brucei	pteridine reductase 1	0.0054	0.0557	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0658	0.3329
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0054	0.0557	0.5183
Toxoplasma gondii	3-ketoacyl-(acyl-carrier-protein) reductase	0.0054	0.0557	0.0148
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.08	1	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0014	0.005	0.0469
Echinococcus multilocularis	geminin	0.0166	0.1976	0.1987
Loa Loa (eye worm)	oxidoreductase	0.0054	0.0557	0.5183
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0054	0.0557	0.675
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0658	0.6121
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0206	0.1042
Echinococcus granulosus	3 oxoacyl acyl carrier protein reductase	0.0054	0.0557	0.2819
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0054	0.0557	1
Trypanosoma brucei	beta-ketoacyl-ACP reductase	0.0054	0.0557	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0033	0.0303
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0625	0.0072
Echinococcus multilocularis	p2X purinoceptor 4	0.0135	0.1575	0.1585
Schistosoma mansoni	hypothetical protein	0.0166	0.1976	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0557	0.5183
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0625	0.0072
Schistosoma mansoni	P2X receptor subunit	0.0135	0.1575	0.7974
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0206	0.1916
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0658	0.0662
Brugia malayi	intermediate filament protein	0.0026	0.0206	0.1916
Plasmodium falciparum	enoyl-acyl carrier reductase	0.08	1	1
Onchocerca volvulus		0.0054	0.0557	1
Echinococcus granulosus	p2X purinoceptor 4	0.0135	0.1575	0.7974
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0658	0.6121
Echinococcus multilocularis	p2X purinoceptor 4	0.0135	0.1575	0.1585
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0054	0.0557	0.5183
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0095	0.1075	1
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0658	0.6121
Echinococcus multilocularis	serine:threonine protein phosphatase 2B	0.0043	0.0415	0.0418
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0625	0.3164
Loa Loa (eye worm)	retinol dehydrogenase 12	0.0054	0.0557	0.5183
Brugia malayi	RNA binding protein	0.0062	0.0658	0.6121
Echinococcus granulosus	serine:threonine protein phosphatase 2B	0.0043	0.0415	0.2102
Schistosoma mansoni	3-oxoacyl-[ACP] reductase	0.0054	0.0557	0.2819
Echinococcus granulosus	p2X purinoceptor 4	0.0135	0.1575	0.7974
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0625	0.0629
Leishmania major	pteridine reductase 1	0.0054	0.0557	0.675
Schistosoma mansoni	hypothetical protein	0.0166	0.1976	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0095	0.1075	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0415	0.3865
Echinococcus granulosus	intermediate filament protein	0.0026	0.0206	0.1042
Echinococcus granulosus	p2X purinoceptor 4	0.0135	0.1575	0.7974
Trypanosoma brucei	oxidoreductase-like protein	0.0054	0.0557	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.1075	0.5439
Schistosoma mansoni	lamin	0.0026	0.0206	0.1042
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.08	1	1
Schistosoma mansoni	P2X receptor subunit	0.0135	0.1575	0.7974
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0625	1
Echinococcus multilocularis	musashi	0.0026	0.0206	0.0207
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0625	0.3164
Echinococcus granulosus	lamin	0.0026	0.0206	0.1042
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0206	0.1916
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0658	0.3329
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0054	0.0557	1
Schistosoma mansoni	dihydropteridine reductase	0.0054	0.0557	0.2819
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0625	0.0219
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0625	0.0072
Leishmania major	oxidoreductase-like protein	0.0054	0.0557	0.675
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.08	1	1
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.08	1	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0625	0.0072
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.08	1	1
Onchocerca volvulus		0.0054	0.0557	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0026	0.0246
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0625	0.3164
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0033	0.0033
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0796	0.9943	1
Onchocerca volvulus		0.0026	0.0206	0.3697
Echinococcus multilocularis	p2X purinoceptor 4	0.0135	0.1575	0.1585
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.1075	0.5439
Schistosoma mansoni	P2X receptor subunit	0.0135	0.1575	0.7974
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0206	0.1916
Echinococcus multilocularis	serine:threonine protein phosphatase 2B	0.0043	0.0415	0.0418
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0658	0.3329
Echinococcus granulosus	serine:threonine protein phosphatase 2B	0.0043	0.0415	0.2102
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0658	0.6121
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.08	1	1
Onchocerca volvulus		0.0026	0.0206	0.3697
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0658	0.3329
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0054	0.0557	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.1075	0.5439
Schistosoma mansoni	protein phosphatase-2b	0.0043	0.0415	0.2102
Leishmania major	3-oxoacyl-ACP reductase, putative	0.0054	0.0557	0.675
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0054	0.0557	0.5183
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0658	0.3329
Plasmodium vivax	3-oxoacyl-[acyl-carrier-protein] reductase, putative	0.0054	0.0557	0.0148
Echinococcus multilocularis	lamin dm0	0.0026	0.0206	0.0207
Trichomonas vaginalis	hypothetical protein	0.08	1	0.5
Schistosoma mansoni	protein phosphatase-2b	0.0043	0.0415	0.2102
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0658	0.3329
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.1075	0.5439

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 40 uM	Inhibition of MK2 after 30 mins by DELFIA	ChEMBL.	17576063
IC50 (binding)	> 40 uM	Inhibition of MK2 after 30 mins by DELFIA	ChEMBL.	17576063

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: 44143507

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 457103