TDR Targets

Basic information

Technical information

TDR Targets ID: 335444
Name: 1-chloro-8-fluoro-6-(4-hydroxyphenyl)naphthal en-2-ol
MW: 288.701 | Formula: C16H10ClFO2
H donors: 2 H acceptors: 2 LogP: 4.82 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(cc1)c1cc(F)c2c(c1)ccc(c2Cl)O
InChi: 1S/C16H10ClFO2/c17-16-14(20)6-3-10-7-11(8-13(18)15(10)16)9-1-4-12(19)5-2-9/h1-8,19-20H
InChiKey: OYUGBGZDLCAQEA-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

1-chloro-8-fluoro-6-(4-hydroxyphenyl)-2-naphthalenol
1-chloro-8-fluoro-6-(4-hydroxyphenyl)-2-naphthol

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	estrogen receptor 2 (ER beta)	Starlite/ChEMBL	References
Homo sapiens	estrogen receptor 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	hypothetical protein	estrogen receptor 2 (ER beta)	495 aa	418 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium falciparum	subtilisin-like protease 3	0.0252	0.0273	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.0252	0.0273	0.073
Brugia malayi	proprotein convertase 2	0.0252	0.0273	0.0271
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Echinococcus multilocularis	membrane bound transcription factor site 1	0.0252	0.0273	0.073
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Schistosoma mansoni	tripeptidyl-peptidase II (S08 family)	0.8147	1	1
Brugia malayi	neuroendocrine convertase 1 precursor	0.0252	0.0273	0.0271
Loa Loa (eye worm)	endoprotease bli-4	0.0252	0.0273	0.0271
Mycobacterium ulcerans	proline rich membrane-anchored mycosin MycP5	0.0252	0.0273	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0039	0.0011	0.0009
Schistosoma mansoni	inositol monophosphatase	0.0033	0.0004	0.0002
Echinococcus granulosus	tm gpcr rhodopsin	0.059	0.069	0.185
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0039	0.0011	0.0024
Brugia malayi	Membrane-bound transcription factor site-1 protease precursor	0.0252	0.0273	0.0271
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Mycobacterium leprae	Possible secreted protease	0.0252	0.0273	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Toxoplasma gondii	subtilisin SUB12	0.0252	0.0273	1
Mycobacterium leprae	PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3)	0.0252	0.0273	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0039	0.0011	0.0024
Brugia malayi	Inositol-1	0.0033	0.0004	0.0002
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0252	0.0273	0.0271
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0039	0.0011	0.0009
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Echinococcus multilocularis	muscleblind protein 1	0.0135	0.0129	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0129	0.0127
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3)	0.0252	0.0273	1
Mycobacterium ulcerans	membrane-anchored serine protease (mycosin), MycP4	0.0252	0.0273	1
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.0252	0.0273	0.073
Toxoplasma gondii	subtilisin SUB6	0.0252	0.0273	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.059	0.069	0.185
Echinococcus multilocularis		0.0252	0.0273	0.073
Trypanosoma brucei	subtilisin peptidase	0.0252	0.0273	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Schistosoma mansoni	subfamily S8B non-peptidase homologue (S08 family)	0.0252	0.0273	0.0271
Trichomonas vaginalis	conserved hypothetical protein	0.0252	0.0273	1
Trypanosoma brucei	serine peptidase, clan SB, family S8-like protein	0.0252	0.0273	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Trypanosoma cruzi	serine peptidase, clan SB, family S8-like protein	0.0252	0.0273	1
Trichomonas vaginalis	conserved hypothetical protein	0.0252	0.0273	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Echinococcus granulosus	peptidase s8 s53 subtilisin kexin sedolisin	0.305	0.3721	1
Echinococcus multilocularis	neuroendocrine convertase 2	0.0252	0.0273	0.073
Loa Loa (eye worm)	subtilase	0.8147	1	1
Loa Loa (eye worm)	hypothetical protein	0.0284	0.0314	0.0312
Echinococcus multilocularis	Peptidase S8 S53, subtilisin kexin sedolisin	0.305	0.3721	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0129	0.0127
Echinococcus multilocularis	muscleblind protein	0.0135	0.0129	0.0342
Echinococcus granulosus	inositol monophosphatase 1	0.0033	0.0004	0.0006
Echinococcus granulosus	high affinity choline transporter 1	0.0284	0.0314	0.0838
Schistosoma mansoni	site-1 peptidase (S08 family)	0.0252	0.0273	0.0271
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Echinococcus granulosus	Furin 1	0.0252	0.0273	0.073
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0252	0.0273	0.0271
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0039	0.0011	0.0009
Brugia malayi	Muscleblind-like protein	0.0135	0.0129	0.0127
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Trypanosoma cruzi	subtilisin peptidase	0.0252	0.0273	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0033	0.0004	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0252	0.0273	0.0271
Brugia malayi	Hypothetical subtilase-type proteinase F21H12.6 in chromosome II	0.0252	0.0273	0.0271
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0033	0.0004	0.5
Brugia malayi	GH02984p	0.0284	0.0314	0.0312
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Echinococcus granulosus	muscleblind protein	0.0135	0.0129	0.0342
Plasmodium vivax	subtilisin-like protease 1	0.0252	0.0273	0.5
Echinococcus multilocularis	high affinity choline transporter 1	0.0284	0.0314	0.0838
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0033	0.0004	0.0087
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0039	0.0011	0.0024
Plasmodium vivax	subtilisin-like protease 2, putative	0.0252	0.0273	0.5
Onchocerca volvulus		0.0252	0.0273	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0039	0.0011	0.0024
Mycobacterium tuberculosis	Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5)	0.0252	0.0273	1
Trichomonas vaginalis	conserved hypothetical protein	0.0252	0.0273	1
Brugia malayi	celfurPC protein	0.0252	0.0273	0.0271
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Schistosoma mansoni	hypothetical protein	0.0153	0.0151	0.015
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4)	0.0252	0.0273	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0039	0.0011	0.0009
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Mycobacterium ulcerans	membrane-anchored mycosin MycP3	0.0252	0.0273	1
Echinococcus granulosus	membrane bound transcription factor site 1	0.0252	0.0273	0.073
Echinococcus multilocularis	geminin	0.0153	0.0151	0.0402
Echinococcus granulosus	furin	0.0252	0.0273	0.073
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Echinococcus granulosus	neuroendocrine convertase 2	0.0252	0.0273	0.073
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0039	0.0011	0.0009
Plasmodium falciparum	subtilisin-like protease 2	0.0252	0.0273	0.5
Plasmodium falciparum	subtilisin-like protease 1	0.0252	0.0273	0.5
Toxoplasma gondii	subtilisin SUB11	0.0252	0.0273	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Leishmania major	subtilisin-like serine peptidase	0.0252	0.0273	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Echinococcus granulosus	geminin	0.0153	0.0151	0.0402
Toxoplasma gondii	subtilisin SUB9	0.0252	0.0273	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Trypanosoma cruzi	subtilisin-like serine peptidase, putative	0.0252	0.0273	1
Loa Loa (eye worm)	proprotein convertase 2	0.0252	0.0273	0.0271
Mycobacterium leprae	PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5)	0.0252	0.0273	1
Loa Loa (eye worm)	inositol-1	0.0033	0.0004	0.0002
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0033	0.0004	0.5
Toxoplasma gondii	subtilisin SUB7	0.0252	0.0273	1
Toxoplasma gondii	subtilisin SUB10	0.0252	0.0273	1
Trichomonas vaginalis	conserved hypothetical protein	0.0252	0.0273	1
Toxoplasma gondii	subtilisin SUB5	0.0252	0.0273	1
Trichomonas vaginalis	conserved hypothetical protein	0.0252	0.0273	1
Schistosoma mansoni	inositol monophosphatase	0.0033	0.0004	0.0002
Schistosoma mansoni	hypothetical protein	0.0153	0.0151	0.015
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Toxoplasma gondii	subtilisin SUB2	0.0252	0.0273	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Schistosoma mansoni	site-1 peptidase (S08 family)	0.0252	0.0273	0.0271
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Schistosoma mansoni	high-affinity choline transporter	0.0284	0.0314	0.0312
Schistosoma mansoni	furin-1 (S08 family)	0.0252	0.0273	0.0271
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Mycobacterium tuberculosis	Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like)	0.0252	0.0273	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Toxoplasma gondii	subtilisin SUB4	0.0252	0.0273	1
Echinococcus multilocularis	Furin 1	0.0252	0.0273	0.073
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0252	0.0273	1
Toxoplasma gondii	subtilisin SUB8	0.0252	0.0273	1
Toxoplasma gondii	subtilisin SUB1	0.0252	0.0273	1
Loa Loa (eye worm)	hypothetical protein	0.0252	0.0273	0.0271
Plasmodium vivax	subtilisin-like serine protease, putative	0.0252	0.0273	0.5
Brugia malayi	endoprotease bli-4 precursor	0.0252	0.0273	0.0271
Trypanosoma cruzi	subtilisin-like serine peptidase, putative	0.0252	0.0273	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 88 %	Regulation of IGFBP-4 transcription in SAOS-2 cells expressing human estrogen receptor beta at 1 uM relative to 10 uM 17-beta-estradiol	ChEMBL.	15943471
Activity (functional)	= 88 %	Regulation of IGFBP-4 transcription in SAOS-2 cells expressing human estrogen receptor beta at 1 uM relative to 10 uM 17-beta-estradiol	ChEMBL.	15943471
IC50 (binding)	= 1.1 nM	Inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor beta expressed in Escherichia coli	ChEMBL.	15943471
IC50 (binding)	= 1.1 nM	Inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor beta expressed in Escherichia coli	ChEMBL.	15943471
IC50 (binding)	= 40 nM	Inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor alpha expressed in Escherichia coli	ChEMBL.	15943471
IC50 (binding)	= 40 nM	Inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor alpha expressed in Escherichia coli	ChEMBL.	15943471
Ratio (binding)	= 36	Relative inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor alpha and beta expressed in Escherichia coli	ChEMBL.	15943471
Ratio (binding)	= 36	Relative inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor alpha and beta expressed in Escherichia coli	ChEMBL.	15943471

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: CHEMBL193146
PubChem: 10286213

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 335444