TDR Targets

Basic information

Technical information

TDR Targets ID: 369692
Name: 4-(2-fluorophenyl)-9-hydroxy-6H-pyrrolo[3,4-c ]carbazole-1,3-dione
MW: 346.311 | Formula: C20H11FN2O3
H donors: 3 H acceptors: 3 LogP: 3.55 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc2c(c1)c1c([nH]2)cc(c2c1c(=O)[nH]c2=O)c1ccccc1F
InChi: 1S/C20H11FN2O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,(H,23,25,26)
InChiKey: FWRQPCBUTUSQTJ-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

4-(2-fluorophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-quinone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	checkpoint kinase 1	Starlite/ChEMBL	References
Homo sapiens	WEE1 G2 checkpoint kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Serine/threonine-protein kinase Chk1, putative	Get druggable targets OG5_130454	All targets in OG5_130454
Leishmania mexicana	protein kinase, putative,serine/threonine protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania infantum	serine/threonine-protein kinase, putative,protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Trypanosoma cruzi	Wee1-like protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania major	protein kinase, putative,serine/threonine protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_130454	All targets in OG5_130454
Leishmania braziliensis	protein kinase, putative,serine/threonine protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania donovani	protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania donovani	Wee1-like protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
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
Trypanosoma brucei gambiense	serine/threonine-protein kinase, putative,protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania braziliensis	serine/threonine-protein kinase, putative,protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Trypanosoma cruzi	Wee1-like protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania infantum	protein kinase, putative,serine/threonine protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Trypanosoma brucei	wee1-like protein kinase	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania mexicana	serine/threonine-protein kinase, putative,protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Trypanosoma cruzi	Wee1-like protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Trypanosoma congolense	Wee1-like protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875

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
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0203	0.1135	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0024	0.0045	1
Trichomonas vaginalis	ABC transporter, putative	0.0024	0.0045	1
Entamoeba histolytica	P-glycoprotein-2, putative	0.0024	0.0045	0.5
Echinococcus multilocularis	ATP binding cassette sub family B	0.0024	0.0043	0.9639
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0024	0.0045	1
Trichomonas vaginalis	abcb9, putative	0.0024	0.0045	1
Echinococcus granulosus	multidrug resistance protein 1	0.0024	0.0045	1
Leishmania major	protein kinase, putative,serine/threonine protein kinase, putative	0.0069	0.032	0.1055
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0045	0.0015
Loa Loa (eye worm)	multidrug resistance protein 3	0.0024	0.0045	0.0015
Trichomonas vaginalis	ABC transporter, putative	0.0024	0.0045	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0024	0.0045	1
Trichomonas vaginalis	taga, putative	0.0024	0.0045	1
Trichomonas vaginalis	ABC transporter, putative	0.0024	0.0045	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0024	0.0045	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0024	0.0045	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0024	0.0045	1
Trichomonas vaginalis	ABC transporter, putative	0.0024	0.0045	1
Schistosoma mansoni	serine/threonine protein kinase	0.0203	0.1135	1
Echinococcus granulosus	multidrug resistance protein 1	0.0024	0.0045	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0024	0.0045	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0024	0.0045	1
Trichomonas vaginalis	abcb9, putative	0.0024	0.0045	1
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0024	0.0043	0.9639
Entamoeba histolytica	P-glycoprotein 5, putative	0.0024	0.0045	0.5
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0024	0.0045	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0024	0.0045	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0024	0.0045	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0024	0.0045	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0024	0.0045	1
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0069	0.032	0.1055
Echinococcus granulosus	multidrug resistance protein 1	0.0024	0.0045	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0024	0.0045	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0024	0.0045	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0024	0.0045	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0024	0.0045	1
Leishmania major	telomerase reverse transcriptase, putative	0.0452	0.2656	1
Brugia malayi	Telomerase reverse transcriptase	0.1202	0.724	1
Entamoeba histolytica	P-glyco protein 6, putative	0.0024	0.0045	0.5
Giardia lamblia	Telomerase catalytic subunit	0.0452	0.2656	0.5
Toxoplasma gondii	RNA-directed DNA polymerase	0.0452	0.2656	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0024	0.0045	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0024	0.0045	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0024	0.0045	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0024	0.0045	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0024	0.0045	1
Entamoeba histolytica	P-glycoprotein-1	0.0024	0.0045	0.5
Entamoeba histolytica	P-glycoprotein-2	0.0024	0.0045	0.5
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0024	0.0045	1
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0024	0.0045	0.0015
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0024	0.0045	1
Brugia malayi	Protein kinase domain containing protein	0.0203	0.1135	0.1515
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0452	0.2656	1
Trypanosoma brucei	telomerase reverse transcriptase	0.0452	0.2656	1
Plasmodium falciparum	telomerase reverse transcriptase	0.0452	0.2656	1
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0452	0.2656	1
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0024	0.0045	0.5
Entamoeba histolytica	P-glycoprotein-5	0.0024	0.0045	0.5
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0024	0.0045	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0024	0.0045	1
Entamoeba histolytica	P-glycoprotein-2	0.0024	0.0045	0.5
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0024	0.0045	1
Trichomonas vaginalis	abcb9, putative	0.0024	0.0045	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0024	0.0045	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0024	0.0045	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0024	0.0045	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0024	0.0045	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0024	0.0045	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0045	0.0015
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0452	0.2656	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0024	0.0045	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0024	0.0045	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.48	Inhibition of human Wee1	ChEMBL.	18976834
IC50 (binding)	= 0.077 uM	Inhibition at human Chk1 in presence of 4 uM ATP	ChEMBL.	16884302
IC50 (binding)	= 0.077 uM	Inhibition at human Chk1 in presence of 4 uM ATP	ChEMBL.	16884302
IC50 (binding)	= 0.33 uM	Inhibition of human Wee1 in presence of 9.5 uM ATP	ChEMBL.	16884302
IC50 (binding)	= 0.33 uM	Inhibition of human Wee1 in presence of 9.5 uM ATP	ChEMBL.	16884302
IC50 (binding)	= 0.33 uM	Inhibition of human Wee1	ChEMBL.	18976834
Ratio IC50 (binding)	= 0.23	Ratio of IC50 for Chk1/IC50 for Wee1	ChEMBL.	16884302

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: CHEMBL386809
PubChem: 11842997

Bibliographic References

2 literature references were 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 369692