TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 219.26 | Formula: C11H9NO2S
H donors: 0 H acceptors: 2 LogP: 2.67 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1nccs1)COc1ccccc1
InChi: 1S/C11H9NO2S/c13-10(11-12-6-7-15-11)8-14-9-4-2-1-3-5-9/h1-7H,8H2
InChiKey: WOOYEWBJUHBQGN-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
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0198	0.5923	0.5923
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0068	0.0202	0.5
Leishmania major	cytochrome p450-like protein	0.0068	0.0202	0.5
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0068	0.0202	0.5
Brugia malayi	hypothetical protein	0.0093	0.1323	0.1144
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0198	0.5923	0.5923
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1323	0.1323
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0198	0.5923	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0073	0.0424	0.0387
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0068	0.0213	0.5
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0068	0.0202	0.5
Schistosoma mansoni	coup transcription factor	0.0198	0.5923	1
Brugia malayi	nuclear receptor NHR-88	0.0198	0.5923	0.5839
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1323	0.1323
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0198	0.5923	0.5923
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0198	0.5923	0.5839
Loa Loa (eye worm)	nuclear hormone receptor	0.0093	0.1323	0.1323
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1816	0.1816
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0105	0.1816	0.2821
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1323	0.1323
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0198	0.5923	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0198	0.5923	0.5839
Schistosoma mansoni	nuclear hormone receptor	0.0198	0.5923	1
Loa Loa (eye worm)	steroid hormone receptor	0.0198	0.5923	0.5923
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0093	0.1323	0.196
Brugia malayi	nuclear receptor RXR	0.0105	0.1816	0.1647
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0198	0.5923	1
Schistosoma mansoni	nuclear hormone receptor	0.0093	0.1323	0.196
Schistosoma mansoni	voltage-gated potassium channel	0.008	0.0718	0.0902
Onchocerca volvulus		0.0198	0.5923	1
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0068	0.0202	0.5
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0068	0.0202	0.5
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0198	0.5923	1
Brugia malayi	hypothetical protein	0.0105	0.1816	0.1647
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1323	0.1323
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0068	0.0202	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0105	0.1816	0.1647
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1323	0.1323
Brugia malayi	ecdysone receptor	0.0093	0.1323	0.1144
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0073	0.0424	0.0226
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0093	0.1323	0.1323
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0068	0.0202	0.5
Brugia malayi	hypothetical protein	0.0093	0.1323	0.1144
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0105	0.1816	0.2821
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0068	0.0202	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0198	0.5923	0.5839
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0068	0.0202	0.5
Schistosoma mansoni	nuclear receptor	0.0093	0.1323	0.196
Brugia malayi	nuclear receptor NHR-67	0.0093	0.1323	0.1144
Loa Loa (eye worm)	hypothetical protein	0.0198	0.5923	0.5923
Loa Loa (eye worm)	CYP4Cod1	0.0068	0.0202	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1323	0.1323
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0068	0.0202	0.5
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0068	0.0202	0.5
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0073	0.0424	0.0387
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0198	0.5923	1
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0068	0.0202	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0198	0.5923	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0105	0.1816	0.1816
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0093	0.1323	0.196
Brugia malayi	steroid hormone receptor	0.0198	0.5923	0.5839
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0068	0.0202	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0198	0.5923	0.5839
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0198	0.5923	1
Loa Loa (eye worm)	hypothetical protein	0.0198	0.5923	0.5923
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0068	0.0202	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0198	0.5923	0.5839
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0068	0.0202	0.5
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0093	0.1323	0.196
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0068	0.0202	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0068	0.0213	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0198	0.5923	0.5839
Brugia malayi	photoreceptor-specific nuclear receptor	0.0198	0.5923	0.5839
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0068	0.0202	0.5
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0068	0.0202	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0198	0.5923	0.5839
Schistosoma mansoni	zinc finger protein	0.0093	0.1323	0.196
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0093	0.1323	0.196
Schistosoma mansoni	thyroid hormone receptor	0.0198	0.5923	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0093	0.1323	0.1144
Brugia malayi	Nuclear hormone receptor-like 1	0.0105	0.1816	0.1647
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0105	0.1816	0.2821
Schistosoma mansoni	RAR-like nuclear receptor	0.0198	0.5923	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0068	0.0202	0.0202
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0198	0.5923	0.5839
Schistosoma mansoni	retinoic acid receptor RXR	0.0198	0.5923	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0198	0.5923	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0198	0.5923	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0198	0.5923	1
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0068	0.0202	0.5
Schistosoma mansoni	nuclear receptor nhr-48	0.0093	0.1323	0.196
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0198	0.5923	1
Trypanosoma brucei	cytochrome P450, putative	0.0068	0.0202	0.5
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0198	0.5923	1
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0068	0.0202	0.5
Schistosoma mansoni	nuclear receptor	0.0093	0.1323	0.196
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0068	0.0202	0.5
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0068	0.0202	0.5
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0093	0.1323	0.1323
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0198	0.5923	1
Loa Loa (eye worm)	hypothetical protein	0.0198	0.5923	0.5923
Brugia malayi	ecdysteroid receptor	0.0198	0.5923	0.5839
Brugia malayi	Nuclear hormone receptor E75	0.0093	0.1323	0.1144
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0093	0.1323	0.196
Brugia malayi	nuclear hormone receptor	0.0093	0.1323	0.1144
Mycobacterium leprae	putative cytochrome p450	0.0068	0.0202	0.5
Loa Loa (eye worm)	hypothetical protein	0.0198	0.5923	0.5923
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1323	0.1323
Trypanosoma cruzi	cytochrome P450, putative	0.0068	0.0202	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.0198	0.5923	1
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1323	0.1323
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0198	0.5923	1
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0068	0.0202	0.5
Brugia malayi	conserved hypotetical protein	0.0093	0.1323	0.1144
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0093	0.1323	0.196
Brugia malayi	orphan nuclear receptor NR2E1	0.0093	0.1323	0.1144
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0093	0.1323	0.196
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0093	0.1323	0.1144
Echinococcus multilocularis	nuclear receptor nhr 48	0.0093	0.1323	0.196
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0198	0.5923	0.5839
Mycobacterium leprae	Conserved hypothetical protein	0.0068	0.0202	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0198	0.5923	1
Loa Loa (eye worm)	hypothetical protein	0.0198	0.5923	0.5923
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0068	0.0202	0.5
Brugia malayi	nuclear receptor RXR	0.0093	0.1323	0.1144
Loa Loa (eye worm)	cytochrome P450 family protein	0.0291	1	1
Brugia malayi	tailless protein	0.0093	0.1323	0.1144
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0068	0.0202	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0198	0.5923	0.5839
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0068	0.0202	0.5
Brugia malayi	nuclear hormone receptor family member odr-7	0.0093	0.1323	0.1144
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0198	0.5923	1
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0068	0.0202	0.5
Loa Loa (eye worm)	hypothetical protein	0.0198	0.5923	0.5923
Schistosoma mansoni	nuclear hormone receptor	0.0093	0.1323	0.196
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1323	0.1323
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0068	0.0202	0.5
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1323	0.1323
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1323	0.1323
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1323	0.1323
Loa Loa (eye worm)	hypothetical protein	0.0198	0.5923	0.5923
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0068	0.0202	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0068	0.0202	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0068	0.0202	0.5
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0068	0.0202	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0198	0.5923	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0198	0.5923	0.5923
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0068	0.0202	0.5
Loa Loa (eye worm)	DR-78	0.0093	0.1323	0.1323
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0105	0.1816	0.2821
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0068	0.0202	0.5
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0198	0.5923	1
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0068	0.0202	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0198	0.5923	0.5923
Leishmania major	cytochrome p450-like protein	0.0068	0.0202	0.5
Onchocerca volvulus	Protein ultraspiracle homolog	0.0198	0.5923	1
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0068	0.0202	0.5
Echinococcus multilocularis	FTZ F1 alpha	0.0198	0.5923	1
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1816	0.1816
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0198	0.5923	0.5923
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1816	0.1816
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0068	0.0202	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.008	0.0718	0.0902
Loa Loa (eye worm)	cytochrome P450	0.0068	0.0202	0.0202
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0198	0.5923	0.5839
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0068	0.0202	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0198	0.5923	0.5839
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0068	0.0202	0.5
Trypanosoma cruzi	cytochrome P450, putative	0.0068	0.0202	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0068	0.0202	0.5
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0068	0.0202	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0198	0.5923	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0068	0.0202	0.0202
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0198	0.5923	0.5839
Brugia malayi	Steroid receptor seven-up type 2	0.0198	0.5923	0.5839
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0093	0.1323	0.196
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0068	0.0202	0.5
Leishmania major	cytochrome p450-like protein	0.0068	0.0202	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0198	0.5923	0.5923
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0068	0.0202	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0068	0.0202	0.5
Echinococcus granulosus	nuclear receptor nhr 48	0.0093	0.1323	0.196
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1323	0.1323
Onchocerca volvulus	Bile acid receptor homolog	0.0198	0.5923	1
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1816	0.1816
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0093	0.1323	0.196
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0068	0.0202	0.5
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0198	0.5923	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0198	0.5923	1
Echinococcus granulosus	FTZ F1 alpha	0.0198	0.5923	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0093	0.1323	0.196
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0068	0.0202	0.5
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0198	0.5923	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0198	0.5923	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0198	0.5923	0.5839
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0068	0.0202	0.5
Echinococcus granulosus	thyroid hormone receptor alpha	0.0093	0.1323	0.196
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0093	0.1323	0.196
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0073	0.0424	0.0424
Brugia malayi	nuclear receptor NHR-88	0.0093	0.1323	0.1144
Loa Loa (eye worm)	hypothetical protein	0.0198	0.5923	0.5923
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0198	0.5923	1
Brugia malayi	hypothetical protein	0.0105	0.1816	0.1647
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1816	0.1816
Brugia malayi	nuclear hormone receptor	0.0198	0.5923	0.5839
Brugia malayi	Nuclear hormone receptor E75	0.0093	0.1323	0.1144

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 12 %	Inhibition of IL-1beta-induced arachidonic acid release in human SW982 cells using [3H]AA at 10 uM by liquid scintillation counting	ChEMBL.	25152071
Inhibition (binding)	= 26 %	Inhibition of human recombinant GIVA cPLA2 at 1 uM in vitro vesicle assay	ChEMBL.	25152071
Inhibition (binding)	= 40 %	Inhibition of human recombinant GIVA cPLA2 using 400 uM Triton X-100/97 uM PAPC/1.8 uM 14C-labeled PAPC/3uM PIP2 substrate mixedmicelles at 1 uM	ChEMBL.	25152071

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: CHEMBL3329866

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 928122