TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 281.266 | Formula: C15H11N3O3
H donors: 2 H acceptors: 2 LogP: 0.56 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OCc1cc2n[nH]c(=O)n2c2c1ccc(c2)c1ccco1
InChi: 1S/C15H11N3O3/c19-8-10-7-14-16-17-15(20)18(14)12-6-9(3-4-11(10)12)13-2-1-5-21-13/h1-7,19H,8H2,(H,17,20)
InChiKey: OVQRTKOHPFAAHT-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	checkpoint kinase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_130454	All targets in OG5_130454
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	Get druggable targets OG5_130454	All targets in OG5_130454
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_130454	All targets in OG5_130454
Schistosoma japonicum	Serine/threonine-protein kinase Chk1, putative	Get druggable targets OG5_130454	All targets in OG5_130454

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	target of rapamycin kinase 3, putative	0.0508	0.7846	0.7846
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0112	0.0112
Trichomonas vaginalis	conserved hypothetical protein	0.0093	0.0975	0.0975
Entamoeba histolytica	hypothetical protein	0.0041	0.0112	0.0112
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0381	0.5746	0.5746
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0975	0.0975
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0041	0.0112	0.0112
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0041	0.0112	0.0112
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.0747	0.0747
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0344	0.5137	0.5137
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0377	0.5683	0.5683
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0041	0.0112	0.0112
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0638	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0474	0.7291	0.7291
Loa Loa (eye worm)	phosphatidylinositol 3	0.0041	0.0112	0.0112
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0041	0.0112	0.5
Loa Loa (eye worm)	phosphatidylinositol 3	0.0041	0.0112	0.0112
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0344	0.5129	0.5129
Toxoplasma gondii	FATC domain-containing protein	0.0121	0.1429	0.1835
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0507	0.7837	0.7837
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0041	0.0112	0.0112
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0121	0.1429	0.1429
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0041	0.0112	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0121	0.1429	0.1429
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0214	0.2975	0.2975
Schistosoma mansoni	hypothetical protein	0.0093	0.0975	0.0873
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0041	0.0112	0.0112
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0214	0.2975	0.2975
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0041	0.0112	0.0112
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0121	0.1429	0.1429
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0214	0.2975	0.2895
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0121	0.1429	0.1332
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0507	0.7837	0.7837
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0041	0.0112	0.0112
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0214	0.2975	0.2975
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0638	1	1
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0041	0.0112	0.5
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0638	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0121	0.1429	0.1429
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0112	0.5
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0214	0.2975	0.2895
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0214	0.2975	0.2895
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0381	0.5746	0.5746
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0214	0.2975	0.2895
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0638	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0171	0.2266	0.2266
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0041	0.0112	0.0112
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0041	0.0112	0.0112
Loa Loa (eye worm)	phosphatidylinositol 3	0.0041	0.0112	0.0112
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0041	0.0112	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0638	1	1
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0121	0.1429	0.1332
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0638	1	1
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0041	0.0112	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0214	0.2975	0.2975
Loa Loa (eye worm)	phosphatidylinositol 3	0.0041	0.0112	0.0112
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0214	0.2975	0.2895
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0093	0.0975	0.0873
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0112	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1657	0.1657
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0414	0.6292	0.6292
Entamoeba histolytica	hypothetical protein	0.0041	0.0112	0.0112
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0377	0.5683	0.5683
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0041	0.0112	0.0112
Brugia malayi	Protein kinase domain containing protein	0.0202	0.2784	0.2784
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0344	0.5129	0.5129
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0507	0.7837	0.7837
Plasmodium vivax	hypothetical protein	0.0041	0.0112	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0121	0.1429	0.1429
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0041	0.0112	0.0112
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0121	0.1429	0.1332
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0214	0.2975	0.2975
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0041	0.0112	0.5
Loa Loa (eye worm)	phosphatidylinositol 3	0.0638	1	1
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0041	0.0112	0.0112
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0474	0.7291	0.7291
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0344	0.5137	0.5137
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0079	0.0747	0.0642
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1429	0.1429
Loa Loa (eye worm)	hypothetical protein	0.013	0.1584	0.1584
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0041	0.0112	0.0112
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0041	0.0112	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0112	0.0112
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0041	0.0112	0.0112
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0507	0.7837	0.7837
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0041	0.0112	0.0112
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0302	0.4429	0.4429
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0041	0.0112	0.0112
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0041	0.0112	0.0112
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0544	0.8454	0.8454
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0041	0.0112	0.0112
Loa Loa (eye worm)	phosphatidylinositol 3	0.0214	0.2975	0.2975
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0041	0.0112	0.0112
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0638	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0344	0.5129	0.5129
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0507	0.7837	0.7837
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0079	0.0747	0.0747
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0344	0.5137	0.5137
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0638	1	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0214	0.2975	0.2975
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0121	0.1429	0.1332
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0121	0.1429	0.1332
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0214	0.2975	0.2895
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0041	0.0112	0.0112
Onchocerca volvulus		0.0041	0.0112	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0474	0.7291	0.7291
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0121	0.1429	0.1429
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0041	0.0112	0.0112
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0041	0.0112	0.5
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0041	0.0112	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0041	0.0112	0.5
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0121	0.1429	0.1429
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0041	0.0112	0.0112
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0638	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0214	0.2975	0.2975
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0747	0.0747
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0041	0.0112	0.0112
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0638	1	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0041	0.0112	0.0112
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0041	0.0112	0.0112
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0041	0.0112	0.0112
Brugia malayi	FAT domain containing protein	0.0093	0.0975	0.0975
Trichomonas vaginalis	conserved hypothetical protein	0.0134	0.1657	0.1657
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0214	0.2975	0.2895
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0112	0.0112
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0265	0.382	0.382
Schistosoma mansoni	serine/threonine protein kinase	0.0202	0.2784	0.2702
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0508	0.7846	0.7822
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0638	1	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0041	0.0112	0.0112
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0121	0.1429	0.1332
Onchocerca volvulus		0.0041	0.0112	0.5
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0093	0.0975	0.0873
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0041	0.0112	0.0112
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0214	0.2975	0.2975
Entamoeba histolytica	hypothetical protein	0.0041	0.0112	0.0112
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0474	0.7291	0.7291
Entamoeba histolytica	hypothetical protein	0.0121	0.1429	0.1429
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0041	0.0112	0.0112
Giardia lamblia	GTOR	0.0638	1	1
Entamoeba histolytica	hypothetical protein	0.0041	0.0112	0.0112
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0041	0.0112	0.0112
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0474	0.7291	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0344	0.5137	0.5137
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0474	0.7291	0.7291
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0381	0.5746	0.5746
Echinococcus granulosus	serine protein kinase ATM	0.0121	0.1429	0.1332
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0474	0.7291	0.7291
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0428	0.652	0.652
Echinococcus multilocularis	serine protein kinase ATM	0.0121	0.1429	0.1332
Trypanosoma cruzi	target of rapamycin kinase 3	0.0508	0.7846	0.7822
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0474	0.7291	0.7291
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0638	1	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0638	1	1
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0041	0.0112	0.0112
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0041	0.0112	0.0112
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0041	0.0112	0.0112
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0134	0.1657	0.2153
Loa Loa (eye worm)	phosphatidylinositol 3	0.0041	0.0112	0.0112
Entamoeba histolytica	protein kinase rad3, putative	0.0121	0.1429	0.1429
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0638	1	1
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0202	0.2784	0.2784

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 2 uM	Inhibition of camptothecin-induced cell cycle arrest in human HT-29 cells assessed as abrogation at G2/M checkpoint measuring phosphohistone-H3 level treated with compound 2 hrs after camptothecin-challenge	ChEMBL.	22342147
IC50 (binding)	= 0.02 uM	Inhibition of Chk1	ChEMBL.	22342147

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	22342147

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: CHEMBL2012882

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 1632763