TDR Targets

Basic information

Technical information

TDR Targets ID: 312536
Name: 2-(3-aminophenyl)benzo[h]chromen-4-one
MW: 287.312 | Formula: C19H13NO2
H donors: 1 H acceptors: 1 LogP: 3.75 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Nc1cccc(c1)c1cc(=O)c2c(o1)c1ccccc1cc2
InChi: 1S/C19H13NO2/c20-14-6-3-5-13(10-14)18-11-17(21)16-9-8-12-4-1-2-7-15(12)19(16)22-18/h1-11H,20H2
InChiKey: PSFJZUUBCFRPCE-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-(3-aminophenyl)-4-benzo[h][1]benzopyranone

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 multilocularis	DNA dependent protein kinase catalytic subunit	Get druggable targets OG5_132688	All targets in OG5_132688
Echinococcus granulosus	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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0297	0.3793	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.076	1	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.076	1	0.5
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0297	0.3793	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.0109	1
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0297	0.3793	1
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.076	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0022	0.0109	0.0109
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0022	0.0109	0.0109
Leishmania major	dihydroorotate dehydrogenase	0.076	1	1
Giardia lamblia	GTOR	0.0022	0.0109	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.0109	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.076	1	1
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0297	0.3793	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Brugia malayi	Zinc finger, C2H2 type family protein	0.0297	0.3793	0.3724
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.076	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.1286	0.119
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.076	1	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.076	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Plasmodium falciparum	dihydroorotate dehydrogenase	0.076	1	0.5
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.076	1	0.5
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0297	0.3793	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0022	0.0109	0.0109
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Schistosoma mansoni	dihydroorotate dehydrogenase	0.076	1	1
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0313	0.4019	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0022	0.0109	0.0109
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0313	0.4019	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0297	0.3793	0.3724
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0297	0.3793	1
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.076	1	0.5
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0022	0.0109	0.0109
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0297	0.3793	0.9421
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0022	0.0109	0.0109
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0297	0.3793	0.9421
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0297	0.3793	1
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0297	0.3793	0.9421
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.076	1	1
Leishmania major	hypothetical protein, conserved	0.0114	0.1342	0.1247
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.076	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0109	0.0287
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0297	0.3793	0.9421

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: 11185299

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 312536