TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 265.239 | Formula: C16H8FNO2
H donors: 0 H acceptors: 2 LogP: 3.44 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc2c(c1)cc1c(n2)c2ccccc2oc1=O
InChi: 1S/C16H8FNO2/c17-10-5-6-13-9(7-10)8-12-15(18-13)11-3-1-2-4-14(11)20-16(12)19/h1-8H
InChiKey: SZTLMHCSUKPLCY-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

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
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0016	0.0062	0.0462
Trichomonas vaginalis	chromobox protein, putative	0.004	0.0973	0.1044
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.18	0.2701
Trichomonas vaginalis	glucosylceramidase, putative	0.0243	0.8784	1
Brugia malayi	Bromodomain containing protein	0.0069	0.2124	0.2124
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2427	0.2427
Loa Loa (eye worm)	hypothetical protein	0.0188	0.6663	0.6663
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0016	0.0062	0.0462
Echinococcus granulosus	tar DNA binding protein	0.0061	0.18	0.3228
Schistosoma mansoni	hypothetical protein	0.0035	0.0787	0.1181
Loa Loa (eye worm)	phosphatidylinositol 3	0.0016	0.0062	0.0062
Trichomonas vaginalis	glucosylceramidase, putative	0.0243	0.8784	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0159	0.5576	0.6322
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0016	0.0062	0.0093
Trichomonas vaginalis	glucosylceramidase, putative	0.0159	0.5576	0.6322
Trichomonas vaginalis	glucosylceramidase, putative	0.0159	0.5576	0.6322
Brugia malayi	Bromodomain containing protein	0.0136	0.4682	0.4682
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0016	0.0062	0.0892
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0016	0.0062	0.0462
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0015	0.004	0.004
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0643	0.0966
Schistosoma mansoni	hypothetical protein	0.0037	0.0893	0.134
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0787	0.1181
Trichomonas vaginalis	glucosylceramidase, putative	0.0159	0.5576	0.6322
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0016	0.0063	0.0486
Trypanosoma brucei	ISWI complex protein	0.0028	0.0521	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0022	0.0289	0.5173
Toxoplasma gondii	FATC domain-containing protein	0.0022	0.0289	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0022	0.0289	0.5173
Echinococcus granulosus	chromobox protein 1	0.0066	0.1972	0.3536
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0041	0.1026	0.184
Schistosoma mansoni	chromobox protein	0.0066	0.1972	0.2959
Echinococcus granulosus	fetal alzheimer antigen falz	0.0041	0.1026	0.184
Brugia malayi	PHD-finger family protein	0.0045	0.1191	0.1191
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0087	0.2791	0.5006
Echinococcus granulosus	serine protein kinase ATM	0.0022	0.0289	0.0518
Loa Loa (eye worm)	hypothetical protein	0.0128	0.4384	0.4384
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0016	0.0062	0.0093
Schistosoma mansoni	hypothetical protein	0.0188	0.6663	1
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0243	0.8784	0.8784
Brugia malayi	N-terminal motif family protein	0.0161	0.5655	0.5655
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0108	0.3616	0.6484
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0031	0.0643	0.1154
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0015	0.004	0.5
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0016	0.0062	0.0462
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.18	0.2701
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.004	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0274	1	1
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0015	0.004	0.006
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0289	0.026
Loa Loa (eye worm)	RNA binding protein	0.0061	0.18	0.18
Loa Loa (eye worm)	heterochromatin protein 1	0.0066	0.1972	0.1972
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0787	0.1411
Schistosoma mansoni	zinc finger protein	0.0036	0.0819	0.123
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0016	0.0062	0.0062
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.004	0.0071
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0015	0.004	0.0071
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.5906	0.67
Echinococcus granulosus	GPCR family 2	0.0087	0.2791	0.5006
Brugia malayi	Isocitrate dehydrogenase	0.0015	0.004	0.004
Schistosoma mansoni	bromodomain containing protein	0.0115	0.3865	0.5801
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0031	0.0643	0.0966
Entamoeba histolytica	hypothetical protein	0.0035	0.0787	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0159	0.5576	0.6322
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0866	0.0866
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.18	0.2701
Trichomonas vaginalis	chromobox protein, putative	0.0066	0.1972	0.219
Brugia malayi	TAR-binding protein	0.0061	0.18	0.18
Trichomonas vaginalis	chromobox protein, putative	0.0066	0.1972	0.219
Entamoeba histolytica	hypothetical protein	0.0022	0.0289	0.3129
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0016	0.0062	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0172	0.0172
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0016	0.0062	0.0462
Echinococcus multilocularis	isocitrate dehydrogenase	0.0015	0.004	0.0071
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0643	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0643	0.0643
Trichomonas vaginalis	glucosylceramidase, putative	0.0159	0.5576	0.6322
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0031	0.0643	0.1154
Leishmania major	hypothetical protein, conserved	0.0028	0.0521	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0087	0.2791	0.5006
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0016	0.0062	0.0111
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0022	0.0289	0.0289
Schistosoma mansoni	hypothetical protein	0.0159	0.5577	0.8369
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0161	0.5655	1
Schistosoma mansoni	hypothetical protein	0.0087	0.2791	0.4189
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0454	0.0449
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0561	0.0561
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0274	1	1
Giardia lamblia	GTOR	0.0016	0.0062	0.5
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0643	0.1154
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0643	0.1154
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0087	0.2791	0.2791
Echinococcus multilocularis	serine protein kinase ATM	0.0022	0.0289	0.0518
Schistosoma mansoni	zinc finger protein	0.0028	0.0521	0.0782
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0016	0.0062	0.0462
Loa Loa (eye worm)	hypothetical protein	0.0087	0.2791	0.2791
Loa Loa (eye worm)	PHD-finger family protein	0.0037	0.0893	0.0893
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0016	0.0062	0.0111
Echinococcus multilocularis	chromobox protein 1	0.0066	0.1972	0.3536
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0274	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0243	0.8784	1
Onchocerca volvulus	Glucosylceramidase homolog	0.0159	0.5576	0.9846
Schistosoma mansoni	chromobox protein	0.0066	0.1972	0.2959
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0866	0.0922
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.18	0.18
Loa Loa (eye worm)	hypothetical protein	0.0161	0.5655	0.5655
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0015	0.004	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.5906	0.67
Entamoeba histolytica	hypothetical protein	0.0035	0.0787	1
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0016	0.0062	0.0111
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0016	0.0062	0.0462
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0065	0.1959	0.3513
Brugia malayi	Latrophilin receptor protein 2	0.0087	0.2791	0.2791
Trypanosoma cruzi	target of rapamycin kinase 3	0.0016	0.0062	0.0462
Trypanosoma cruzi	ISWI complex protein	0.0028	0.0521	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0087	0.2791	0.5006
Loa Loa (eye worm)	hypothetical protein	0.0074	0.2294	0.2294
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0016	0.0062	0.0462
Echinococcus multilocularis	geminin	0.0159	0.5577	1
Schistosoma mansoni	hypothetical protein	0.0159	0.5577	0.8369
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0015	0.004	0.0071
Trichomonas vaginalis	glucosylceramidase, putative	0.0243	0.8784	1
Brugia malayi	RNA binding protein	0.0061	0.18	0.18
Echinococcus multilocularis	chromobox protein 1	0.0066	0.1972	0.3536
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0087	0.2791	0.2791
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.18	0.3228
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0019	0.0172	0.2746
Brugia malayi	latrophilin 2 splice variant baaae	0.0188	0.6663	0.6663
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0016	0.0062	0.0462
Schistosoma mansoni	hypothetical protein	0.0028	0.0521	0.0782
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0041	0.1026	0.154
Echinococcus granulosus	geminin	0.0159	0.5577	1
Loa Loa (eye worm)	bromodomain containing protein	0.0032	0.0686	0.0686
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0243	0.8784	0.8784
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0087	0.2791	0.5006
Trichomonas vaginalis	glucosylceramidase, putative	0.0243	0.8784	1
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0866	0.0922
Echinococcus multilocularis	zinc finger protein	0.0036	0.0819	0.1469
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0065	0.1959	0.3513
Schistosoma mansoni	hypothetical protein	0.0087	0.2791	0.4189
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.18	0.2701
Trichomonas vaginalis	chromobox protein, putative	0.004	0.0973	0.1044
Entamoeba histolytica	hypothetical protein	0.0035	0.0787	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.18	0.18
Echinococcus multilocularis	GPCR, family 2	0.0087	0.2791	0.5006
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0016	0.0062	0.0462
Schistosoma mansoni	hypothetical protein	0.0087	0.2791	0.4189
Trichomonas vaginalis	glucosylceramidase, putative	0.0243	0.8784	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0037	0.0866	0.0598
Trichomonas vaginalis	glucosylceramidase, putative	0.0159	0.5576	0.6322
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0454	0.0449
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0016	0.0062	0.0462
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0016	0.0062	0.0462
Brugia malayi	Heterochromatin protein 1	0.0066	0.1972	0.1972
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.004	0.0071
Brugia malayi	chromobox protein homolog 3	0.0037	0.0866	0.0866
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0031	0.0643	0.0966
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0016	0.0062	0.0062
Loa Loa (eye worm)	phosphatidylinositol 3	0.0016	0.0062	0.0062
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0016	0.0062	0.0462
Entamoeba histolytica	hypothetical protein	0.0035	0.0787	1
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.18	0.2701
Trypanosoma cruzi	ISWI complex protein	0.0028	0.0521	1
Brugia malayi	isocitrate dehydrogenase	0.0015	0.004	0.004
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0787	0.1411
Loa Loa (eye worm)	hypothetical protein	0.007	0.2129	0.2129
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0015	0.004	0.5
Echinococcus granulosus	chromobox protein 1	0.0066	0.1972	0.3536
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0016	0.0062	0.0462
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.004	0.0973	0.0809
Brugia malayi	hypothetical protein	0.0035	0.0787	0.0787
Echinococcus granulosus	zinc finger protein	0.0036	0.0819	0.1469
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0108	0.3616	0.6484
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0016	0.0063	0.0486
Schistosoma mansoni	hypothetical protein	0.0087	0.2791	0.4189
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0022	0.0289	0.0433
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.18	0.18

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 11 uM	Cytotoxicity against human MDA-MB-231 cells after 24 hrs by MTT assay	ChEMBL.	22202437
IC50 (functional)	= 17 uM	Cytotoxicity against human COLO205 cells after 24 hrs by MTT assay	ChEMBL.	22202437
IC50 (functional)	= 37 uM	Cytotoxicity against human K562 cells after 24 hrs by MTT assay	ChEMBL.	22202437
IC50 (functional)	= 43 uM	Cytotoxicity against human IMR32 cells after 24 hrs by MTT assay	ChEMBL.	22202437

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	22202437

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: CHEMBL1929375

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1567801