TDR Targets

Basic information

Technical information

TDR Targets ID: 329941
Name: 2-Fluoro-4b,9,10-triaza-benzo[b]fluorene-5,11 -dione
MW: 267.215 | Formula: C14H6FN3O2
H donors: 0 H acceptors: 3 LogP: 1.41 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc2c(c1)C(=O)c1n2c(=O)c2c(n1)nccc2
InChi: 1S/C14H6FN3O2/c15-7-3-4-10-9(6-7)11(19)13-17-12-8(2-1-5-16-12)14(20)18(10)13/h1-6H
InChiKey: AKHMUNBSKUODAD-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

AIDS-093009
AIDS093009

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Plasmodium falciparum	MO15-related protein kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Toxoplasma gondii	cell-cycle-associated protein kinase, putative	Get druggable targets OG5_141009	All targets in OG5_141009
Neospora caninum	CAM kinase, CDPK family, putative	Get druggable targets OG5_141009	All targets in OG5_141009
Plasmodium falciparum	MO15-related protein kinase	Get druggable targets OG5_141009	All targets in OG5_141009
Plasmodium knowlesi	MO15-related protein kinase	Get druggable targets OG5_141009	All targets in OG5_141009
Cryptosporidium hominis	cyclin-dependent kinase-related kinase	Get druggable targets OG5_141009	All targets in OG5_141009
Plasmodium berghei	MO15-related protein kinase	Get druggable targets OG5_141009	All targets in OG5_141009
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	Get druggable targets OG5_141009	All targets in OG5_141009
Cryptosporidium parvum	cyclin-dependent kinase-related kinase, putative	Get druggable targets OG5_141009	All targets in OG5_141009
Plasmodium yoelii	MO15-related protein kinase Pfmrk	Get druggable targets OG5_141009	All targets in OG5_141009
Babesia bovis	cyclin-dependent kinase-related kinase, putative	Get druggable targets OG5_141009	All targets in OG5_141009
Theileria parva	cyclin-dependent kinase, putative	Get druggable targets OG5_141009	All targets in OG5_141009

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	mitogen-activated protein kinase 5	MO15-related protein kinase	324 aa	313 aa	27.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Brugia malayi	Protein kinase domain containing protein	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Brugia malayi	cyclin-dependent kinase 7 homolog	0.001	0.0201	1
Schistosoma mansoni	hypothetical protein	0.001	0.0173	0.865
Loa Loa (eye worm)	haspin protein kinase	0.001	0.0173	0.865
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.001	0.0201	1
Echinococcus granulosus	Cell division cycle 2 protein kinase	0.001	0.0201	1
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	protein kinase atmrk1, putative	0.001	0.0201	1
Onchocerca volvulus		0.0007	0	0.5
Giardia lamblia	Kinase, CAMK CAMKL	0.001	0.0201	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Echinococcus granulosus	serine:threonine protein kinase NLK	0.001	0.0201	1
Loa Loa (eye worm)	CMGC/CDK/CRK7 protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	G protein-coupled receptor kinase, putative	0.001	0.0201	1
Leishmania major	serine/threonine kinase-like protein, putative	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Echinococcus granulosus	Pfam-B_8186 domain containing protein	0.001	0.0173	0.865
Schistosoma mansoni	hypothetical protein	0.001	0.0173	0.865
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Schistosoma mansoni	protein kinase	0.001	0.0201	1
Trypanosoma brucei	Mitogen-activated protein kinase 10, putative	0.001	0.0201	1
Echinococcus multilocularis	calcium activated potassium channel	0.0007	0.0027	0.135
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CMGC family protein kinase	0.001	0.0201	1
Echinococcus granulosus	serine:threonine protein kinase haspin	0.001	0.0173	0.865
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.0144	1	1
Echinococcus multilocularis	hypothetical protein	0.001	0.0173	0.865
Leishmania major	mitogen-activated protein kinase, putative,map kinase-like protein	0.001	0.0201	1
Trypanosoma brucei	protein kinase, putative	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CMGC family protein kinase	0.001	0.0201	1
Entamoeba histolytica	protein kinase domain containing protein	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Brugia malayi	Cell division protein kinase 2	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Echinococcus granulosus	calcium activated potassium channel	0.0007	0.0027	0.135
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Giardia lamblia	Kinase, CAMK CAMKL	0.001	0.0201	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Giardia lamblia	Kinase, CAMK CAMKL	0.001	0.0201	0.5
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.001	0.0173	0.865
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Loa Loa (eye worm)	haspin protein kinase	0.001	0.0173	0.865
Trichomonas vaginalis	CMGC family protein kinase	0.001	0.0201	1
Brugia malayi	GSG2	0.001	0.0173	0.865
Schistosoma mansoni	serine/threonine protein kinase	0.001	0.0201	1
Toxoplasma gondii	cell-cycle-associated protein kinase, putative	0.0135	0.9307	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Schistosoma mansoni	serine/threonine kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Echinococcus granulosus	mitogen activated protein kinase 15	0.001	0.0201	1
Brugia malayi	hypothetical protein	0.001	0.0173	0.865
Onchocerca volvulus	Transient receptor potential cation channel trpm homolog	0.0007	0	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	serine/threonine kinase, putative	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Echinococcus multilocularis	Cell division cycle 2 protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CMGC family protein kinase	0.001	0.0201	1
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.001	0.0173	0.865
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Echinococcus multilocularis	cyclin dependent kinase 9	0.001	0.0201	1
Echinococcus granulosus	cyclin dependent kinase 9	0.001	0.0201	1
Entamoeba histolytica	cell division protein kinase 2, putative	0.001	0.0201	1
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.001	0.0201	1
Echinococcus granulosus	serine:threonine protein kinase haspin	0.001	0.0173	0.865
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Loa Loa (eye worm)	haspin protein kinase	0.001	0.0201	1
Echinococcus multilocularis	serine:threonine protein kinase NLK	0.001	0.0201	1
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1
Onchocerca volvulus	Transient receptor potential cation channel trpm homolog	0.0007	0	0.5
Echinococcus granulosus	serine:threonine protein kinase haspin	0.001	0.0173	0.865
Trichomonas vaginalis	CAMK family protein kinase	0.001	0.0201	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	> 15 %	Antibacterial activity against Escherichia coli AS19 assessed as cell viability at 10 ug/ml after 20 to 24 hrs	ChEMBL.	20373766
GI50 (functional)	= 0.6 ug ml-1	Antibacterial activity against Escherichia coli AS19 after 4 hrs	ChEMBL.	20373766
IC50 (binding)	= 4.7 uM	Inhibition of Plasmodium falciparum cyclin-dependent kinase	ChEMBL.	15481979
IC50 (binding)	= 4.7 uM	Inhibition of Plasmodium falciparum cyclin-dependent kinase	ChEMBL.	15481979
MBC90 (functional)	= 1 ug ml-1	Antitubercular activity against Mycobacterium tuberculosis H37Rv incubated at 37 degC for 7 days by microplate alamar blue assay	ChEMBL.	23360475
MIC (functional)	= 1 ug ml-1	Antitubercular activity against Mycobacterium tuberculosis H37Rv incubated at 37 degC for 7 days by microplate alamar blue assay	ChEMBL.	23360475
MIC (functional)	= 2 ug ml-1	Antitubercular activity against Mycobacterium tuberculosis H37Rv incubated at 37 degC for 14 days in presence of 40% human serum by microplate alamar blue assay	ChEMBL.	23360475

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

ChEMBL: CHEMBL187652
PubChem: 478671

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 329941