TDR Targets

Basic information

Technical information

TDR Targets ID: 951672
Name: 2-(2-aminopyrimidin-4-yl)-7-(2-hydroxyethyl)- 1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
MW: 273.291 | Formula: C13H15N5O2
H donors: 4 H acceptors: 4 LogP: -0.85 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: OCCC1CNC(=O)c2c1[nH]c(c2)c1ccnc(n1)N
InChi: 1S/C13H15N5O2/c14-13-15-3-1-9(18-13)10-5-8-11(17-10)7(2-4-19)6-16-12(8)20/h1,3,5,7,17,19H,2,4,6H2,(H,16,20)(H2,14,15,18)
InChiKey: KVUYOXHSZKLWPI-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-(2-amino-4-pyrimidinyl)-7-(2-hydroxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-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
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
Echinococcus granulosus	CDC7 cell division cycle 7	Get druggable targets OG5_129189	All targets in OG5_129189
Giardia lamblia	Kinase, CDC7	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
Candida albicans	protein serine/threonine kinase	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
Onchocerca volvulus		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

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
Trypanosoma brucei	aminopeptidase, putative	0.009	0.0267	0.1054
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.009	0.0267	0.1054
Echinococcus granulosus	leucine aminopeptidase protein	0.0119	0.0627	0.0627
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.009	0.0267	1
Brugia malayi	hypothetical protein	0.009	0.0267	0.0267
Mycobacterium ulcerans	aminopeptidase N PepN	0.0257	0.2339	1
Loa Loa (eye worm)	hypothetical protein	0.0615	0.6804	0.7665
Loa Loa (eye worm)	TATA binding protein associated factor	0.009	0.0267	0.0301
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.009	0.0267	0.0267
Schistosoma mansoni	family M1 non-peptidase homologue (M01 family)	0.0166	0.1216	0.5196
Brugia malayi	hypothetical protein	0.0257	0.2339	0.2339
Chlamydia trachomatis	cytosol aminopeptidase	0.0119	0.0627	0.5
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0257	0.2339	0.2339
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0257	0.2339	1
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.009	0.0267	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1216	0.1369
Echinococcus granulosus	aminopeptidase N	0.0872	1	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0257	0.2339	0.2339
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.009	0.0267	0.1141
Mycobacterium leprae	Probable cytosol aminopeptidase PepB	0.0119	0.0627	0.5
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0257	0.2339	1
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0257	0.2339	1
Toxoplasma gondii	leucyl aminopeptidase LAP	0.0119	0.0627	1
Brugia malayi	TATA binding protein associated factor	0.009	0.0267	0.0267
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.009	0.0267	1
Brugia malayi	Peptidase family M1 containing protein	0.009	0.0267	0.0267
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.009	0.0267	0.1141
Plasmodium vivax	M17 leucyl aminopeptidase, putative	0.0119	0.0627	1
Trypanosoma brucei	Aminopeptidase M1, putative	0.0257	0.2339	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0257	0.2339	0.2339
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.009	0.0267	0.1054
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0257	0.2339	0.2339
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0257	0.2339	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0257	0.2339	0.2339
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.009	0.0267	0.0267
Trypanosoma brucei	Aminopeptidase M1, putative	0.0257	0.2339	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0257	0.2339	0.2339
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0257	0.2339	0.2339
Loa Loa (eye worm)	aminopeptidase N	0.0257	0.2339	0.2635
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0257	0.2339	1
Loa Loa (eye worm)	hypothetical protein	0.009	0.0267	0.0301
Schistosoma mansoni	aminopeptidase A (M01 family)	0.009	0.0267	0.1141
Echinococcus multilocularis	aminopeptidase N	0.0872	1	1
Loa Loa (eye worm)	hypothetical protein	0.009	0.0267	0.0301
Brugia malayi	Peptidase family M1 containing protein	0.0257	0.2339	0.2339
Trypanosoma cruzi	aminopeptidase, putative	0.009	0.0267	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0781	0.8876	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0257	0.2339	0.2339
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0166	0.1216	0.1216
Onchocerca volvulus		0.0872	1	1
Mycobacterium ulcerans	leucyl aminopeptidase	0.0119	0.0627	0.1737
Giardia lamblia	Kinase, CDC7	0.0069	0	0.5
Echinococcus granulosus	leukotriene A 4 hydrolase	0.009	0.0267	0.0267
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.009	0.0267	0.1054
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0257	0.2339	1
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0166	0.1216	0.5149
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.009	0.0267	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1216	0.1369
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0705	0.7928	0.8931
Echinococcus multilocularis	leucine aminopeptidase protein	0.0119	0.0627	0.0627
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0257	0.2339	1
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0257	0.2339	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0257	0.2339	0.2339
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.009	0.0267	0.1054
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0257	0.2339	0.2339
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.009	0.0267	0.1141
Mycobacterium tuberculosis	Probable aminopeptidase PepB	0.0119	0.0627	0.5
Wolbachia endosymbiont of Brugia malayi	leucyl aminopeptidase	0.0119	0.0627	0.5
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.009	0.0267	0.0267
Loa Loa (eye worm)	hypothetical protein	0.009	0.0267	0.0301
Onchocerca volvulus		0.0257	0.2339	0.2339
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.009	0.0267	0.0301
Onchocerca volvulus		0.009	0.0267	0.0267
Entamoeba histolytica	aminopeptidase, putative	0.0257	0.2339	0.5
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0257	0.2339	1
Trypanosoma cruzi	aminopeptidase, putative	0.0257	0.2339	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.004 uM	Inhibition of human Cdc7 assessed as inhibition of rate of phosphorylation of Mcm2 protein	ChEMBL.	19115845
IC50 (functional)	= 1.1 uM	Antiproliferative activity against human A2780 cells after 72 hrs by luciferase based assay	ChEMBL.	19115845

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	19115845

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: CHEMBL451213

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 951672