TDR Targets

Basic information

Technical information

TDR Targets ID: 503198
Name: 2-pyridin-4-yl-5,6,7,8-tetrahydro-1H-pyrrolo[ 3,2-c]azepin-4-one
MW: 227.262 | Formula: C13H13N3O
H donors: 2 H acceptors: 2 LogP: 1.01 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: O=C1NCCCc2c1cc([nH]2)c1ccncc1
InChi: 1S/C13H13N3O/c17-13-10-8-12(9-3-6-14-7-4-9)16-11(10)2-1-5-15-13/h3-4,6-8,16H,1-2,5H2,(H,15,17)
InChiKey: HNRVTFRFDNDIEV-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

2-(4-pyridyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cell division cycle 7	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus		Get druggable targets OG5_129189	All targets in OG5_129189
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_129189	All targets in OG5_129189
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_129189	All targets in OG5_129189
Schistosoma japonicum	ko:K02214 cell division control protein CDC7, putative	Get druggable targets OG5_129189	All targets in OG5_129189
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_129189	All targets in OG5_129189
Candida albicans	protein serine/threonine kinase	Get druggable targets OG5_129189	All targets in OG5_129189
Giardia lamblia	Kinase, CDC7	Get druggable targets OG5_129189	All targets in OG5_129189
Echinococcus granulosus	CDC7 cell division cycle 7	Get druggable targets OG5_129189	All targets in OG5_129189
Loa Loa (eye worm)	CDC7 protein kinase	Get druggable targets OG5_129189	All targets in OG5_129189
Candida albicans	protein serine/threonine kinase	Get druggable targets OG5_129189	All targets in OG5_129189
Echinococcus multilocularis	CDC7 cell division cycle 7	Get druggable targets OG5_129189	All targets in OG5_129189
Onchocerca volvulus		Get druggable targets OG5_129189	All targets in OG5_129189
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_129189	All targets in OG5_129189
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_129189	All targets in OG5_129189

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	Protein kinase C brain isozyme	0.001	0.0363	0.0363
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0027	0.1357	0.1357
Echinococcus granulosus	NDR protein kinase	0.001	0.0363	0.0363
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0018	0.085	0.085
Trypanosoma cruzi	Protein kinase B	0.002	0.0949	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.001	0.0363	0.0363
Trichomonas vaginalis	AGC family protein kinase	0.0029	0.1456	0.3323
Schistosoma mansoni	tyrosine kinase	0.0176	0.9854	1
Echinococcus multilocularis	serine threonine protein kinase	0.001	0.0363	0.0363
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.002	0.0949	1
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0073	0.3966	0.3966
Entamoeba histolytica	protein kinase 2, putative	0.0018	0.085	0.5835
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.001	0.0363	0.0363
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0007	0.0185	0.0185
Giardia lamblia	Kinase, CDC7	0.0069	0.3739	1
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0006	0.0142	0.0142
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0006	0.0142	0.0142
Schistosoma mansoni	growth factor receptor-bound protein	0.0005	0.0101	0.0103
Schistosoma mansoni	serine/threonine protein kinase	0.0069	0.3739	0.3794
Loa Loa (eye worm)	AGC/PKN protein kinase	0.001	0.0363	0.0363
Brugia malayi	Tyrosine-protein kinase abl-1	0.0109	0.5989	1
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0179	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0069	0.3739	1
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0003	0.0002	0.0013
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0006	0.0142	0.0142
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0006	0.0142	0.0142
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0006	0.0142	0.0142
Brugia malayi	Protein kinase domain containing protein	0.0029	0.1456	0.2431
Echinococcus granulosus	nervana 2	0.0017	0.0807	0.0807
Brugia malayi	Protein kinase domain containing protein	0.001	0.0363	0.0606
Onchocerca volvulus		0.0069	0.3739	1
Trichomonas vaginalis	AGC family protein kinase	0.0029	0.1456	0.3323
Schistosoma mansoni	growth factor receptor-bound protein	0.0005	0.0101	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0068	0.3678	0.3678
Trichomonas vaginalis	AGC family protein kinase	0.0029	0.1456	0.3323
Brugia malayi	Protein kinase domain containing protein	0.001	0.0363	0.0606
Brugia malayi	Sex muscle abnormal protein 5	0.0005	0.0101	0.0169
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0017	0.0807	0.0807
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.001	0.0363	0.0363
Loa Loa (eye worm)	TK/ABL protein kinase	0.0179	1	1
Entamoeba histolytica	protein kinase, putative	0.001	0.0363	0.2492
Entamoeba histolytica	PH domain containing protein kinase, putative	0.002	0.0949	0.6519
Entamoeba histolytica	protein kinase, putative	0.0029	0.1456	1
Trichomonas vaginalis	AGC family protein kinase	0.0029	0.1456	0.3323
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0005	0.0101	0.0103
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.001	0.0363	0.0363
Entamoeba histolytica	PH domain containing protein kinase, putative	0.002	0.0949	0.6519
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.001	0.0363	0.0363
Entamoeba histolytica	protein kinase, putative	0.0003	0.0002	0.0013
Trichomonas vaginalis	AGC family protein kinase	0.0029	0.1456	0.3323
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0018	0.085	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0029	0.1456	0.3323
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0018	0.085	0.085
Loa Loa (eye worm)	hypothetical protein	0.001	0.0363	0.0363
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.001	0.0363	0.0363
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0006	0.0142	0.0142
Trichomonas vaginalis	AGC family protein kinase	0.0011	0.0462	0.0416
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.001	0.0363	0.0363
Loa Loa (eye worm)	AGC/NDR protein kinase	0.001	0.0363	0.0363
Brugia malayi	Tyrosine-protein kinase abl-1	0.0073	0.3966	0.6621
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0006	0.0142	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0101	0.0101
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0005	0.0101	0.0101
Schistosoma mansoni	tyrosine kinase	0.0006	0.0142	0.0144
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0006	0.0142	0.0142
Entamoeba histolytica	protein kinase, putative	0.0027	0.1357	0.9317
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0006	0.0142	0.0144
Schistosoma mansoni	serine/threonine protein kinase	0.001	0.0363	0.0368
Brugia malayi	protein kinase C II.	0.001	0.0363	0.0606
Brugia malayi	Variant SH3 domain containing protein	0.0005	0.0101	0.0169
Echinococcus granulosus	serine threonine protein kinase nrc	0.0018	0.085	0.085
Schistosoma mansoni	serine/threonine protein kinase	0.001	0.0363	0.0368
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.001	0.0363	0.0363
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0006	0.0142	0.0142
Schistosoma mansoni	atypical protein kinase C	0.001	0.0363	0.0368
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0006	0.0142	0.0142
Entamoeba histolytica	protein kinase, putative	0.0029	0.1456	1
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0005	0.0101	0.0101
Echinococcus multilocularis	NCK adaptor protein	0.0005	0.0101	0.0101
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0363	0.0125
Echinococcus granulosus	NCK adaptor protein	0.0005	0.0101	0.0101
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0006	0.0142	0.0142
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.001	0.0363	0.0363
Echinococcus multilocularis	serine:threonine protein kinase N2	0.001	0.0363	0.0363
Echinococcus multilocularis	rac serine:threonine kinase	0.002	0.0949	0.0949
Schistosoma mansoni	nck2/grb4	0.0005	0.0101	0.0103
Echinococcus granulosus	CDC7 cell division cycle 7	0.0069	0.3739	0.3739
Echinococcus granulosus	c src tyrosine kinase	0.0006	0.0142	0.0142
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0017	0.0807	0.0807
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0029	0.1456	0.1456
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0006	0.0142	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0058	0.0058
Echinococcus granulosus	nervana 2	0.0017	0.0807	0.0807
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.001	0.0363	0.0363
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0006	0.0142	0.0142
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0005	0.0101	0.0101
Schistosoma mansoni	serine/threonine kinase	0.001	0.0363	0.0368
Brugia malayi	p70 ribosomal S6 kinase beta	0.0027	0.1357	0.2265
Echinococcus multilocularis	arf GAP with SH3 domain, ANK repeat and PH	0.0004	0.0055	0.0055
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0018	0.085	0.5
Echinococcus multilocularis	Glutaredoxin protein 5	0.0017	0.0807	0.0807
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0363	0.0125
Echinococcus multilocularis	CDC7 cell division cycle 7	0.0069	0.3739	0.3739
Echinococcus granulosus	serine:threonine protein kinase N2	0.001	0.0363	0.0363
Brugia malayi	Hr1 repeat family protein	0.001	0.0363	0.0606
Trichomonas vaginalis	CMGC family protein kinase	0.0069	0.3739	1
Schistosoma mansoni	vav2	0.0004	0.0058	0.0059
Echinococcus granulosus	Glutaredoxin protein 5	0.0017	0.0807	0.0807
Entamoeba histolytica	hypothetical protein	0.0004	0.0055	0.0377
Echinococcus multilocularis	protein kinase c epsilon type	0.001	0.0363	0.0363
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0006	0.0142	0.0142
Schistosoma mansoni	serine/threonine protein kinase	0.001	0.0363	0.0368
Echinococcus granulosus	serine/threonine protein kinase	0.002	0.0949	0.0949
Echinococcus granulosus	protein kinase c epsilon type	0.001	0.0363	0.0363
Echinococcus granulosus	growth factor receptor bound protein 2	0.0005	0.0101	0.0101
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0006	0.0142	0.0142
Schistosoma mansoni	adapter molecule crk	0.0005	0.0101	0.0103
Schistosoma mansoni	serine/threonine-protein kinase	0.002	0.0949	0.0963
Brugia malayi	SRC-1	0.0006	0.0142	0.0238
Schistosoma mansoni	development and differentiation-enhancing factor ddef	0.0004	0.0055	0.0056
Trichomonas vaginalis	AGC family protein kinase	0.0029	0.1456	0.3323
Brugia malayi	Variant SH3 domain containing protein	0.0004	0.0058	0.0098
Echinococcus multilocularis	serine:threonine protein kinase 38	0.001	0.0363	0.0363
Schistosoma mansoni	serine/threonine protein kinase	0.001	0.0363	0.0368
Echinococcus multilocularis	nervana 2	0.0017	0.0807	0.0807
Schistosoma mansoni	tyrosine kinase	0.0006	0.0142	0.0144
Schistosoma mansoni	tyrosine kinase	0.0006	0.0142	0.0144
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0006	0.0142	0.0142
Brugia malayi	Variant SH3 domain containing protein	0.0005	0.0101	0.0169
Loa Loa (eye worm)	CDC7 protein kinase	0.0069	0.3739	0.3739
Onchocerca volvulus		0.0069	0.3739	1
Loa Loa (eye worm)	SRC-1	0.0006	0.0142	0.0142
Schistosoma mansoni	serine/threonine protein kinase	0.001	0.0363	0.0368
Schistosoma mansoni	serine/threonine-protein kinase	0.002	0.0949	0.0963
Echinococcus multilocularis	protein kinase c iota type	0.001	0.0363	0.0363
Echinococcus multilocularis	c src tyrosine kinase	0.0006	0.0142	0.0142
Echinococcus granulosus	protein kinase c iota type	0.001	0.0363	0.0363
Trichomonas vaginalis	CMGC family protein kinase	0.0069	0.3739	1
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.001	0.0363	0.0363
Schistosoma mansoni	serine/threonine protein kinase	0.001	0.0363	0.0368
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0363	0.0125
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0006	0.0142	0.0142
Toxoplasma gondii	AGC kinase	0.0027	0.1357	0.5
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.001	0.0363	0.0363
Schistosoma mansoni	tyrosine kinase	0.0006	0.0142	0.0144
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0029	0.1456	0.5
Brugia malayi	Protein kinase domain containing protein	0.0069	0.3739	0.6242
Echinococcus granulosus	protein kinase C gamma type	0.001	0.0363	0.0363
Schistosoma mansoni	serine/threonine protein kinase	0.001	0.0363	0.0368
Echinococcus multilocularis	nervana 2	0.0017	0.0807	0.0807
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0004	0.0058	0.0058
Echinococcus granulosus	arf GAP with SH3 domain ANK repeat and PH	0.0004	0.0055	0.0055
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0006	0.0142	0.0142

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.158 uM	Inhibition of human Cdc7	ChEMBL.	18201066
IC50 (binding)	= 0.158 uM	Inhibition of human Cdc7	ChEMBL.	18201066

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: 24778304

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 503198