TDR Targets

Basic information

Technical information

TDR Targets ID: 720249
Name: methyl 4-[2-[(2-chlorophenyl)methyl]-7-fluoro -3,9-dioxo-1H-chromeno[3,2-c]pyrrol-1-yl]benz oate
MW: 477.868 | Formula: C26H17ClFNO5
H donors: 0 H acceptors: 3 LogP: 4.57 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1ccc(cc1)C1N(Cc2ccccc2Cl)C(=O)c2c1c(=O)c1c(o2)ccc(c1)F
InChi: 1S/C26H17ClFNO5/c1-33-26(32)15-8-6-14(7-9-15)22-21-23(30)18-12-17(28)10-11-20(18)34-24(21)25(31)29(22)13-16-4-2-3-5-19(16)27/h2-12,22H,13H2,1H3
InChiKey: ZBYBCASOSFRJHE-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-[(2-chlorophenyl)methyl]-7-fluoro-3,9-dioxo-1H-chromeno[3,2-c]pyrrol-1-yl]benzoic acid methyl ester
4-[2-(2-chlorobenzyl)-7-fluoro-3,9-diketo-1H-chromeno[3,2-c]pyrrol-1-yl]benzoic acid methyl ester

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0033	0.0263	0.0263
Schistosoma mansoni	hypothetical protein	0.004	0.0347	0.0404
Brugia malayi	Carboxylesterase family protein	0.0089	0.0981	0.1461
Mycobacterium ulcerans	carboxylesterase, LipT	0.0089	0.0981	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0089	0.0981	0.5
Echinococcus granulosus	carboxylesterase 5A	0.0527	0.6608	1
Plasmodium vivax	multidomain scavenger receptor, putative	0.0019	0.0084	0.5
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0089	0.0981	0.0981
Schistosoma mansoni	hypothetical protein	0.0165	0.1961	0.2877
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0084	0.0084
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0089	0.0981	0.1375
Onchocerca volvulus		0.0089	0.0981	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0464	0.0701
Echinococcus multilocularis	protein dispatched 1	0.0047	0.0441	0.0441
Echinococcus granulosus	Niemann Pick C1 protein	0.0096	0.1071	0.162
Brugia malayi	hypothetical protein	0.0019	0.0084	0.01
Brugia malayi	metabotropic glutamate receptor type 2	0.0019	0.0085	0.0102
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0175	0.0238
Echinococcus granulosus	acetylcholinesterase	0.0527	0.6608	1
Echinococcus granulosus	geminin	0.0165	0.1961	0.2967
Echinococcus granulosus	neuroligin	0.0089	0.0981	0.1485
Echinococcus granulosus	acetylcholinesterase	0.0527	0.6608	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0084	0.0084
Echinococcus multilocularis	expressed conserved protein	0.009	0.0996	0.0996
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0089	0.0981	0.0981
Schistosoma mansoni	lamin	0.0026	0.0175	0.0139
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0049	0.0464	0.0464
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0096	0.1071	1
Schistosoma mansoni	hypothetical protein	0.004	0.0347	0.0404
Echinococcus granulosus	lamin dm0	0.0026	0.0175	0.0265
Brugia malayi	Metabotropic glutamate receptor precursor.	0.004	0.0346	0.0498
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0226	0.274	0.4146
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0366	0.0555
Onchocerca volvulus		0.0089	0.0981	1
Loa Loa (eye worm)	carboxylesterase	0.0527	0.6608	1
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0084	0.0084
Loa Loa (eye worm)	carboxylesterase	0.0089	0.0981	0.1485
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0089	0.0981	0.5
Schistosoma mansoni	voltage-gated potassium channel KCNQ	0.0104	0.117	0.1665
Brugia malayi	Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog	0.0104	0.117	0.1749
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0033	0.0263	0.0398
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0054	0.0529	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1071	0.162
Loa Loa (eye worm)	hypothetical protein	0.0527	0.6608	1
Echinococcus multilocularis	musashi	0.0026	0.0175	0.0175
Brugia malayi	Carboxylesterase family protein	0.0527	0.6608	1
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0175	0.0139
Echinococcus multilocularis	geminin	0.0165	0.1961	0.1961
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0981	0.1485
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0089	0.0981	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0169	0.0255
Schistosoma mansoni	metabotropic glutamate receptor	0.0019	0.0085	0.0002
Schistosoma mansoni	lamin	0.0026	0.0175	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0084	0.0127
Echinococcus granulosus	lamin	0.0026	0.0175	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0175	0.0265
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0175	0.0265
Brugia malayi	Niemann-Pick C1 protein precursor	0.0096	0.1071	0.1598
Plasmodium falciparum	LCCL domain-containing protein	0.0019	0.0084	0.5
Echinococcus multilocularis	para nitrobenzyl esterase	0.0089	0.0981	0.0981
Echinococcus granulosus	Niemann Pick C1 protein	0.0137	0.16	0.2422
Echinococcus granulosus	RUN	0.0019	0.0084	0.0127
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0084	0.0127
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0084	0.0127
Onchocerca volvulus		0.0089	0.0981	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0089	0.0981	0.1375
Schistosoma mansoni	acetylcholinesterase	0.0089	0.0981	0.1375
Echinococcus granulosus	intermediate filament protein	0.0026	0.0175	0.0265
Echinococcus multilocularis	lamin dm0	0.0026	0.0175	0.0175
Brugia malayi	intermediate filament protein	0.0026	0.0175	0.0238
Echinococcus granulosus	expressed conserved protein	0.009	0.0996	0.1507
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0089	0.0981	0.1375
Echinococcus multilocularis	sterol regulatory element binding protein	0.0041	0.0366	0.0366
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0288	0.0312
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0098	0.109	0.1542
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0981	0.1485
Schistosoma mansoni	gliotactin	0.0089	0.0981	0.1375
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0089	0.0981	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0089	0.0981	0.1375
Echinococcus multilocularis	carboxylesterase 5A	0.0527	0.6608	0.6608
Echinococcus granulosus	potassium channel KvQLT family member kqt 1	0.0104	0.117	0.1771
Echinococcus multilocularis	lamin	0.0026	0.0175	0.0175
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0045	0.0416	0.0508
Schistosoma mansoni	metabotropic glutamate receptor	0.0033	0.0263	0.0275
Loa Loa (eye worm)	hypothetical protein	0.0527	0.6608	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0084	0.0127
Echinococcus granulosus	BC026374 protein S09 family	0.0089	0.0981	0.1485
Loa Loa (eye worm)	carboxylesterase	0.0089	0.0981	0.1485
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0175	0.0265
Loa Loa (eye worm)	voltage-gated potassium channel	0.0101	0.1129	0.1709
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	0.0104	0.117	0.117
Schistosoma mansoni	hypothetical protein	0.0165	0.1961	0.2877
Echinococcus granulosus	Protein patched homolog 1	0.0041	0.0366	0.0555
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0049	0.0464	0.0701
Trichomonas vaginalis	spcc417.12 protein, putative	0.0089	0.0981	1
Brugia malayi	Carboxylesterase family protein	0.0089	0.0981	0.1461
Loa Loa (eye worm)	glutamate receptor	0.0016	0.0037	0.0056
Brugia malayi	hypothetical protein	0.0035	0.0288	0.0409
Brugia malayi	follicle stimulating hormone receptor	0.0226	0.274	0.413
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0084	0.0127
Onchocerca volvulus		0.0089	0.0981	1
Brugia malayi	Carboxylesterase family protein	0.0527	0.6608	1
Brugia malayi	CHE-14 protein	0.0041	0.0366	0.0529
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0981	0.1485
Onchocerca volvulus		0.0089	0.0981	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0137	0.16	0.16
Echinococcus multilocularis	acetylcholinesterase	0.0527	0.6608	0.6608
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0288	0.0436
Echinococcus granulosus	sterol regulatory element binding protein	0.0041	0.0366	0.0555
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0089	0.0981	0.1485
Schistosoma mansoni	BC026374 protein (S09 family)	0.0089	0.0981	0.1375
Echinococcus multilocularis	neuroligin	0.0089	0.0981	0.0981
Brugia malayi	hypothetical protein	0.0019	0.0084	0.01
Brugia malayi	Doublecortin family protein	0.0019	0.0084	0.01
Loa Loa (eye worm)	hypothetical protein	0.005	0.0486	0.0735
Loa Loa (eye worm)	glutamate receptor	0.004	0.0346	0.0523
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0981	0.1485
Onchocerca volvulus		0.0026	0.0175	0.1013
Brugia malayi	hypothetical protein	0.0089	0.0981	0.1461
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0041	0.0366	0.0555
Onchocerca volvulus		0.0026	0.0175	0.1013
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0288	0.0288
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0084	0.0127
Schistosoma mansoni	lipoxygenase	0.0054	0.0529	0.0682
Schistosoma mansoni	hypothetical protein	0.0035	0.0288	0.0312
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0018	0.0027
Schistosoma mansoni	hypothetical protein	0.004	0.0347	0.0404
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0527	0.6608	1
Echinococcus multilocularis	RUN	0.0019	0.0084	0.0084
Echinococcus multilocularis	Niemann Pick C1 protein	0.0096	0.1071	0.1071
Echinococcus granulosus	para nitrobenzyl esterase	0.0089	0.0981	0.1485
Echinococcus multilocularis	acetylcholinesterase	0.0527	0.6608	0.6608
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0981	0.1485
Loa Loa (eye worm)	acetylcholinesterase 1	0.0527	0.6608	1
Echinococcus multilocularis	protein patched	0.0041	0.0366	0.0366
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0036	0.0298	0.0425
Schistosoma mansoni	patched 1	0.0041	0.0366	0.0433
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0054	0.0529	0.08
Brugia malayi	Carboxylesterase family protein	0.0089	0.0981	0.1461
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0981	0.1485
Schistosoma mansoni	hypothetical protein	0.004	0.0347	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0981	0.1485
Brugia malayi	Carboxylesterase family protein	0.0089	0.0981	0.1461

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 720249