TDR Targets

Basic information

Technical information

TDR Targets ID: 310244
Name: 2-(2-hydroxypropylamino)pyrimido[2,1-a]isoqui nolin-4-one
MW: 269.299 | Formula: C15H15N3O2
H donors: 2 H acceptors: 2 LogP: 1.19 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC(CNc1cc(=O)n2c(n1)c1ccccc1cc2)O
InChi: 1S/C15H15N3O2/c1-10(19)9-16-13-8-14(20)18-7-6-11-4-2-3-5-12(11)15(18)17-13/h2-8,10,16,19H,9H2,1H3
InChiKey: GPHNIVNAJHESFW-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-hydroxypropylamino)-4-pyrimido[2,1-a]isoquinolinone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	protein kinase, DNA-activated, catalytic polypeptide	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	Get druggable targets OG5_132688	All targets in OG5_132688
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	Get druggable targets OG5_132688	All targets in OG5_132688

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
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0022	0.0385	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0304	0.0464
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0304	0.5
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0304	0.258
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0617	0.0617
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0304	0.2163
Echinococcus granulosus	dna polymerase eta	0.0045	0.1147	0.1147
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0012	0.0072	0.0109
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0022	0.0385	0.0261
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0654	0.0654
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0022	0.0385	0.2918
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0304	0.2163
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0022	0.0385	0.0261
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0304	0.2163
Loa Loa (eye worm)	hypothetical protein	0.0045	0.1147	0.1751
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0022	0.0385	0.0978
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0106	0.032
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0304	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0654	0.5541
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.118	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.0022	0.0385	0.0978
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0304	0.2163
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0022	0.0385	0.0978
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0209	0.6554	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0022	0.0385	0.0385
Trypanosoma cruzi	DNA polymerase eta, putative	0.0032	0.0707	0.198
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0022	0.0385	0.0385
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0012	0.0072	0.0072
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0304	0.0725
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0313	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0304	0.2163
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0304	0.0725
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.0304	0.7414
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0022	0.0385	0.0588
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0304	0.2163
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.118	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0654	0.5541
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.0385	0.0588
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.328	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0304	0.258
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Trichomonas vaginalis	set domain proteins, putative	0.0238	0.7506	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0014	0.0118	0.0062
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0072	0.0109
Loa Loa (eye worm)	hypothetical protein	0.003	0.0654	0.0997
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.0385	0.0588
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0304	0.2163
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0654	0.5541
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0304	0.2163
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0022	0.0385	0.0385
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0304	0.5
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0032	0.0707	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Trypanosoma brucei	unspecified product	0.0013	0.0106	0.032
Brugia malayi	Pre-SET motif family protein	0.0209	0.6554	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0304	0.0304
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0022	0.0385	0.4941
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0304	0.0304
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Leishmania major	DNA polymerase eta, putative	0.0045	0.1147	0.2707
Echinococcus multilocularis	serine protein kinase ATM	0.0012	0.0072	0.0072
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0022	0.0385	0.0978
Trypanosoma cruzi	DNA polymerase eta, putative	0.0045	0.1147	0.3353
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0012	0.0072	0.0606
Trypanosoma brucei	unspecified product	0.0013	0.0106	0.032
Leishmania major	hypothetical protein, conserved	0.0114	0.3419	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0106	0.032
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0304	0.2163
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0304	0.0313
Giardia lamblia	GTOR	0.0022	0.0385	1
Echinococcus granulosus	serine protein kinase ATM	0.0012	0.0072	0.0072
Echinococcus multilocularis	dna polymerase eta	0.0045	0.1147	0.1147
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0022	0.0385	0.0588
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0022	0.0385	0.2918
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0304	0.2163
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Trypanosoma brucei	DNA polymerase eta, putative	0.0045	0.1147	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.118	0.118
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0304	0.0464
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0304	0.0725
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0304	0.2163
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0022	0.0385	0.2918
Trypanosoma brucei	unspecified product	0.0019	0.0304	0.2163
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0106	0.032
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0012	0.0072	0.0109
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0022	0.0385	0.0261
Brugia malayi	Pre-SET motif family protein	0.003	0.0654	0.0997
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0022	0.0385	0.0385
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.118	0.18
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0014	0.0118	0.0431
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0304	0.2163
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0022	0.0385	0.0261
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0012	0.0072	0.0606
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0022	0.0385	0.3268
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0304	0.2163
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Onchocerca volvulus		0.0238	0.7506	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0014	0.0118	0.073
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0304	0.0304
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0022	0.0385	0.2918
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0304	0.0313
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.118	0.118
Brugia malayi	ImpB/MucB/SamB family protein	0.0045	0.1147	0.1751
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0654	0.5541
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0654	0.0654
Plasmodium vivax	SET domain protein, putative	0.003	0.0654	0.5
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0022	0.0385	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.118	0.118
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0118	0.0062
Leishmania major	DNA polymerase eta, putative	0.0032	0.0707	0.1293
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0022	0.0385	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0118	0.018
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0012	0.0072	0.0072
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0654	0.0654
Onchocerca volvulus		0.003	0.0654	0.0871
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0654	0.916
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0022	0.0385	0.0978
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0022	0.0385	0.3268
Schistosoma mansoni	DNA polymerase eta	0.0045	0.1147	0.9728
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0304	0.0304
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0385	0.0422
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.118	0.118
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0022	0.0385	0.2918
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.118	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.118	0.18
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0304	0.0725
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0304	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 10 uM	Inhibition of DNA dependent protein kinase isolated from HeLa cells	ChEMBL.	15658870
IC50 (binding)	> 10 uM	Inhibition of DNA dependent protein kinase isolated from HeLa cells	ChEMBL.	15658870

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: 11184764

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 310244