TDR Targets

Basic information

Technical information

TDR Targets ID: 1485757
Name: (3-methylnaphthalen-2-yl)-phenylmethanone
MW: 246.303 | Formula: C18H14O
H donors: 0 H acceptors: 1 LogP: 4.88 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cc2ccccc2cc1C(=O)c1ccccc1
InChi: 1S/C18H14O/c1-13-11-15-9-5-6-10-16(15)12-17(13)18(19)14-7-3-2-4-8-14/h2-12H,1H3
InChiKey: FHRVZEAHNWZGRW-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

(3-methyl-2-naphthyl)-phenyl-methanone
(3-methyl-2-naphthyl)-phenylmethanone
(3-methylnaphthalen-2-yl)-phenyl-methanone
6974-27-2
NSC23199

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No references
Homo sapiens	Rap guanine nucleotide exchange factor (GEF) 4	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131726	All targets in OG5_131726
Brugia malayi	N-terminal motif family protein	Get druggable targets OG5_131726	All targets in OG5_131726
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	Get druggable targets OG5_131726	All targets in OG5_131726

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 granulosus	Pleckstrin G protein interacting region	0.0011	0.0012	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0367	0.1293	1
Brugia malayi	hypothetical protein	0.0011	0.0012	0.0086
Schistosoma mansoni	amine oxidase	0.0367	0.1293	0.1293
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0367	0.1293	0.1292
Echinococcus multilocularis	regulator of G protein signaling 7	0.0011	0.0012	0.0011
Echinococcus granulosus	segment polarity protein dishevelled	0.0011	0.0012	0.0013
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0001	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0001	0.5
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0367	0.1293	0.5
Entamoeba histolytica	hypothetical protein	0.0008	0.0001	0.5
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0011	0.0012	0.0011
Plasmodium vivax	hypothetical protein, conserved	0.0367	0.1293	0.5
Schistosoma mansoni	guanine-nucleotide-exchange-factor	0.0008	0.0001	0.0001
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0001	0.5
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0011	0.0012	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0367	0.1293	1
Schistosoma mansoni	ras GTP exchange factor	0.0008	0.0001	0.0001
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0367	0.1293	0.1293
Leishmania major	UDP-galactopyranose mutase	0.0367	0.1293	0.5
Brugia malayi	regulator of G-protein signaling egl-10	0.0011	0.0012	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0218	0.0758	0.5854
Onchocerca volvulus		0.0011	0.0012	0.0086
Brugia malayi	N-terminal motif family protein	0.0218	0.0758	0.5854
Mycobacterium tuberculosis	Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO)	0.2422	0.8681	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0001	0.5
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0367	0.1293	1
Onchocerca volvulus		0.0367	0.1293	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0001	0.5
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.2789	1	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0001	0.5
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0011	0.0012	0.0086
Schistosoma mansoni	z-protein (S1r protein)	0.0011	0.0012	0.0012
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0008	0.0001	0.0001
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0008	0.0001	0.5
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0367	0.1293	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0001	0.5
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.2789	1	1
Echinococcus granulosus	segment polarity protein dishevelled	0.0011	0.0012	0.0013
Schistosoma mansoni	amine oxidase	0.0367	0.1293	0.1293
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0011	0.0012	0.0012
Echinococcus multilocularis	protoporphyrinogen oxidase	0.2789	1	1
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0367	0.1293	0.1488
Brugia malayi	SWIRM domain containing protein	0.0367	0.1293	1
Echinococcus multilocularis		0.0367	0.1293	0.1292
Loa Loa (eye worm)	hypothetical protein	0.0367	0.1293	1
Echinococcus multilocularis	segment polarity protein dishevelled	0.0011	0.0012	0.0011
Brugia malayi	amine oxidase, flavin-containing family protein	0.0367	0.1293	1
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0367	0.1293	0.1488
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0367	0.1293	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0001	0.5
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0008	0.0001	0.0001
Schistosoma mansoni	dishevelled	0.0011	0.0012	0.0012
Plasmodium falciparum	protoporphyrinogen oxidase	0.0367	0.1293	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0001	0.5
Loa Loa (eye worm)	hypothetical protein	0.0367	0.1293	1
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0008	0.0001	0.0001
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0367	0.1293	1
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0008	0.0001	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0001	0.5
Echinococcus granulosus	regulator of G protein signaling 7	0.0011	0.0012	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0012	0.0086
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0001	0.5
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0367	0.1293	1
Loa Loa (eye worm)	hypothetical protein	0.0367	0.1293	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0001	0.5
Echinococcus multilocularis	segment polarity protein dishevelled	0.0011	0.0012	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0367	0.1293	1
Echinococcus multilocularis	regulator of G protein signaling 7	0.0011	0.0012	0.0011
Brugia malayi	DIX domain containing protein	0.0011	0.0012	0.0086
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0011	0.0012	0.0086
Trichomonas vaginalis	guanine nucleotide exchange factor, putative	0.0008	0.0001	0.5
Echinococcus granulosus	regulator of G protein signaling 7	0.0011	0.0012	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0012	0.0086
Plasmodium vivax	hypothetical protein, conserved	0.0367	0.1293	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0001	0.5
Loa Loa (eye worm)	DIX domain-containing protein	0.0011	0.0012	0.0086
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0367	0.1293	0.5
Brugia malayi	hypothetical protein	0.0367	0.1293	1
Schistosoma mansoni	regulator of G protein signaling	0.0011	0.0012	0.0012
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0218	0.0758	0.5854
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.2789	1	1
Echinococcus granulosus	protoporphyrinogen oxidase	0.2422	0.8681	1
Trichomonas vaginalis	ras GTP exchange factor, son of sevenless, putative	0.0008	0.0001	0.5
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0011	0.0012	0.0086
Schistosoma mansoni	dishevelled	0.0011	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0012	0.0086
Schistosoma mansoni	dep domain containing protein	0.0011	0.0012	0.0012
Toxoplasma gondii	histone lysine-specific demethylase	0.0367	0.1293	1
Brugia malayi	hypothetical protein	0.0011	0.0012	0.0086

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference

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: CHEMBL1719301

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 1485757