TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 241.371 | Formula: C17H23N
H donors: 1 H acceptors: 0 LogP: 3.49 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: NC1C2CC3CC1(CC(C2)C3)Cc1ccccc1
InChi: 1S/C17H23N/c18-16-15-7-13-6-14(8-15)11-17(16,10-13)9-12-4-2-1-3-5-12/h1-5,13-16H,6-11,18H2
InChiKey: PUOAXAQCVOTVQP-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
Brugia malayi	nuclear receptor NHR-88	0.0138568	0.0124555	0.0128167
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0138568	0.0124555	0.0128167
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0138568	0.0124555	0.082496
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0293755	0.0406384	0.041817
Echinococcus granulosus	FTZ F1 alpha	0.0293755	0.0406384	0.289067
Loa Loa (eye worm)	steroid hormone receptor	0.0293755	0.0406384	0.041817
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0155186	0.0154734	0.110064
Brugia malayi	hypothetical protein	0.0138568	0.0124555	0.0128167
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0108335	0.00696491	1
Loa Loa (eye worm)	hypothetical protein	0.0138568	0.0124555	0.0128167
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.00708413	0.000155753	0.5
Onchocerca volvulus		0.0138568	0.0124555	0.0123017
Trypanosoma cruzi	p450 reductase, putative	0.0108335	0.00696491	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0293755	0.0406384	0.269159
Brugia malayi	Steroid receptor seven-up type 2	0.0293755	0.0406384	0.041817
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0293755	0.0406384	0.041817
Brugia malayi	FAD binding domain containing protein	0.0108335	0.00696491	0.0071669
Loa Loa (eye worm)	galactoside-binding lectin family protein	0.0676495	0.110147	0.113341
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0108335	0.00696491	0.0495424
Loa Loa (eye worm)	hypothetical protein	0.0155186	0.0154734	0.0159221
Loa Loa (eye worm)	hypothetical protein	0.0138568	0.0124555	0.0128167
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.557637	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0138568	0.0124555	0.082496
Echinococcus multilocularis	casein kinase ii subunit beta	0.00708413	0.000155753	0.00103159
Schistosoma mansoni	nuclear hormone receptor	0.0293755	0.0406384	0.269159
Loa Loa (eye worm)	galectin	0.0676495	0.110147	0.113341
Loa Loa (eye worm)	DR-78	0.0138568	0.0124555	0.0128167
Loa Loa (eye worm)	hypothetical protein	0.0138568	0.0124555	0.0128167
Plasmodium falciparum	nitric oxide synthase, putative	0.0108335	0.00696491	1
Brugia malayi	hypothetical protein	0.0155186	0.0154734	0.0159221
Loa Loa (eye worm)	hypothetical protein	0.0293755	0.0406384	0.041817
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0138568	0.0124555	0.0123017
Schistosoma mansoni	zinc finger protein	0.0138568	0.0124555	0.082496
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0108335	0.00696491	0.0495424
Schistosoma mansoni	RAR-like nuclear receptor	0.0293755	0.0406384	0.269159
Schistosoma mansoni	nuclear receptor	0.0138568	0.0124555	0.082496
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0293755	0.0406384	0.041817
Loa Loa (eye worm)	hypothetical protein	0.0138568	0.0124555	0.0128167
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0155186	0.0154734	0.102484
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0138568	0.0124555	0.082496
Loa Loa (eye worm)	galactoside-binding lectin family protein	0.0676495	0.110147	0.113341
Toxoplasma gondii	ck2 beta subunit	0.00708413	0.000155753	0.5
Leishmania major	cytochrome P450 reductase, putative	0.00993909	0.00534056	0.761446
Giardia lamblia	Nitric oxide synthase, inducible	0.00993909	0.00534056	1
Loa Loa (eye worm)	hypothetical protein	0.0138568	0.0124555	0.0128167
Brugia malayi	ecdysone receptor	0.0138568	0.0124555	0.0128167
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0293755	0.0406384	0.269159
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0293755	0.0406384	0.041817
Loa Loa (eye worm)	hypothetical protein	0.0155186	0.0154734	0.0159221
Loa Loa (eye worm)	hypothetical protein	0.0155186	0.0154734	0.0159221
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0108335	0.00696491	1
Giardia lamblia	Hypothetical protein	0.00993909	0.00534056	1
Brugia malayi	nuclear receptor NHR-67	0.0138568	0.0124555	0.0128167
Echinococcus granulosus	Galectin carbohydrate recognition domain	0.0676495	0.110147	0.783491
Loa Loa (eye worm)	hypothetical protein	0.0293755	0.0406384	0.041817
Toxoplasma gondii	casein kinase ii regulatory subunit protein	0.00708413	0.000155753	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0293755	0.0406384	0.289067
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0138568	0.0124555	0.0885979
Plasmodium vivax	flavodoxin domain containing protein	0.00993909	0.00534056	0.761446
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0293755	0.0406384	0.269159
Echinococcus multilocularis	protein notum	0.0901355	0.150983	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0293755	0.0406384	0.269159
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.00708413	0.000155753	0.5
Onchocerca volvulus	Galectin homolog	0.0676495	0.110147	0.110008
Schistosoma mansoni	galectin	0.0676495	0.110147	0.729531
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0138568	0.0124555	0.0128167
Brugia malayi	Galactoside-binding lectin family protein	0.0676495	0.110147	0.113341
Loa Loa (eye worm)	hypothetical protein	0.0676495	0.110147	0.113341
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.00708413	0.000155753	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0293755	0.0406384	0.041817
Loa Loa (eye worm)	hypothetical protein	0.0155186	0.0154734	0.0159221
Brugia malayi	Nuclear hormone receptor E75	0.0138568	0.0124555	0.0128167
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0293755	0.0406384	0.269159
Brugia malayi	Nuclear hormone receptor-like 1	0.0155186	0.0154734	0.0159221
Loa Loa (eye worm)	hypothetical protein	0.0293755	0.0406384	0.041817
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0108335	0.00696491	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.542118	0.971817	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0138568	0.0124555	0.082496
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0293755	0.0406384	0.041817
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0108335	0.00696491	1
Loa Loa (eye worm)	hypothetical protein	0.0138568	0.0124555	0.0128167
Brugia malayi	flavodoxin family protein	0.0108335	0.00696491	0.0071669
Brugia malayi	nuclear receptor NHR-88	0.0293755	0.0406384	0.041817
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0293755	0.0406384	0.041817
Schistosoma mansoni	cytochrome P450 reductase	0.0108335	0.00696491	0.0461304
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0108335	0.00696491	1
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0108335	0.00696491	0.0461304
Brugia malayi	Galactoside-binding lectin family protein	0.0676495	0.110147	0.113341
Loa Loa (eye worm)	hypothetical protein	0.0108335	0.00696491	0.0071669
Brugia malayi	orphan nuclear receptor NR2E1	0.0138568	0.0124555	0.0128167
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0293755	0.0406384	0.041817
Brugia malayi	ecdysteroid receptor	0.0293755	0.0406384	0.041817
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0293755	0.0406384	0.289067
Loa Loa (eye worm)	hypothetical protein	0.0138568	0.0124555	0.0128167
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0293755	0.0406384	0.289067
Loa Loa (eye worm)	hypothetical protein	0.0138568	0.0124555	0.0128167
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0138568	0.0124555	0.0128167
Loa Loa (eye worm)	hypothetical protein	0.0138568	0.0124555	0.0128167
Loa Loa (eye worm)	nuclear hormone receptor	0.0138568	0.0124555	0.0128167
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0293755	0.0406384	0.269159
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0155186	0.0154734	0.102484
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0293755	0.0406384	0.269159
Loa Loa (eye worm)	galactoside-binding lectin family protein	0.0676495	0.110147	0.113341
Loa Loa (eye worm)	hypothetical protein	0.0293755	0.0406384	0.041817
Loa Loa (eye worm)	hypothetical protein	0.0138568	0.0124555	0.0128167
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0138568	0.0124555	0.0885979
Brugia malayi	Csnk2b protein	0.00708413	0.000155753	0.00016027
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0293755	0.0406384	0.041817
Loa Loa (eye worm)	galectin	0.0676495	0.110147	0.113341
Schistosoma mansoni	notum	0.0901355	0.150983	1
Echinococcus multilocularis	FTZ F1 alpha	0.0293755	0.0406384	0.269159
Trichomonas vaginalis	sulfite reductase, putative	0.0108335	0.00696491	1
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.00993909	0.00534056	0.761446
Schistosoma mansoni	nuclear hormone receptor	0.0138568	0.0124555	0.082496
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0293755	0.0406384	0.289067
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0138568	0.0124555	0.082496
Brugia malayi	tailless protein	0.0138568	0.0124555	0.0128167
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0138568	0.0124555	0.0885979
Schistosoma mansoni	retinoic acid receptor RXR	0.0844097	0.140585	0.931129
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0293755	0.0406384	0.041817
Loa Loa (eye worm)	hypothetical protein	0.0293755	0.0406384	0.041817
Loa Loa (eye worm)	Csnk2b protein	0.00708413	0.000155753	0.00016027
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0293755	0.0406384	0.041817
Loa Loa (eye worm)	hypothetical protein	0.528261	0.946652	0.974105
Loa Loa (eye worm)	hypothetical protein	0.0293755	0.0406384	0.041817
Brugia malayi	Galactoside-binding lectin family protein	0.0676495	0.110147	0.113341
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0293755	0.0406384	0.041817
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0293755	0.0406384	0.269159
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0293755	0.0406384	0.269159
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0293755	0.0406384	0.041817
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0155186	0.0154734	0.102484
Brugia malayi	nuclear hormone receptor	0.0293755	0.0406384	0.041817
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0293755	0.0406384	0.041817
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0293755	0.0406384	0.041817
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0293755	0.0406384	0.269159
Brugia malayi	hypothetical protein	0.0155186	0.0154734	0.0159221
Brugia malayi	hypothetical protein	0.0138568	0.0124555	0.0128167
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0108335	0.00696491	1
Schistosoma mansoni	coup transcription factor	0.0293755	0.0406384	0.269159
Echinococcus multilocularis	ecdysone induced protein 78C	0.0293755	0.0406384	0.269159
Echinococcus granulosus	casein kinase ii subunit beta	0.00708413	0.000155753	0.00110789
Onchocerca volvulus	Protein ultraspiracle homolog	0.0293755	0.0406384	0.040489
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0293755	0.0406384	0.269159
Loa Loa (eye worm)	hypothetical protein	0.0138568	0.0124555	0.0128167
Echinococcus granulosus	nuclear receptor nhr 48	0.0138568	0.0124555	0.0885979
Schistosoma mansoni	thyroid hormone receptor	0.0293755	0.0406384	0.269159
Brugia malayi	steroid hormone receptor	0.0293755	0.0406384	0.041817
Loa Loa (eye worm)	hypothetical protein	0.0138568	0.0124555	0.0128167
Brugia malayi	nuclear hormone receptor family member odr-7	0.0138568	0.0124555	0.0128167
Leishmania major	p450 reductase, putative	0.0108335	0.00696491	1
Loa Loa (eye worm)	hypothetical protein	0.0293755	0.0406384	0.041817
Echinococcus granulosus	ecdysone induced protein 78C	0.0293755	0.0406384	0.289067
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0155186	0.0154734	0.0159221
Echinococcus multilocularis	nuclear receptor nhr 48	0.0138568	0.0124555	0.082496
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0108335	0.00696491	0.0461304
Brugia malayi	Nuclear hormone receptor-like 1	0.0155186	0.0154734	0.0159221
Onchocerca volvulus	Bile acid receptor homolog	0.0293755	0.0406384	0.040489
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0138568	0.0124555	0.082496
Brugia malayi	Nuclear hormone receptor E75	0.0138568	0.0124555	0.0128167
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0108335	0.00696491	1
Brugia malayi	Galactoside-binding lectin family protein	0.0676495	0.110147	0.113341
Onchocerca volvulus		0.0293755	0.0406384	0.040489
Brugia malayi	Nuclear hormone receptor-like 1	0.0293755	0.0406384	0.041817
Chlamydia trachomatis	sulfite reductase	0.00699837	0	0.5
Schistosoma mansoni	nuclear receptor nhr-48	0.0138568	0.0124555	0.082496
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0108335	0.00696491	0.0071669
Brugia malayi	nuclear receptor RXR	0.0138568	0.0124555	0.0128167
Brugia malayi	photoreceptor-specific nuclear receptor	0.0293755	0.0406384	0.041817
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0293755	0.0406384	0.041817
Schistosoma mansoni	nuclear hormone receptor	0.0138568	0.0124555	0.082496
Echinococcus multilocularis	Galectin, carbohydrate recognition domain	0.0676495	0.110147	0.729531
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0108335	0.00696491	1
Loa Loa (eye worm)	hypothetical protein	0.0155186	0.0154734	0.0159221
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0293755	0.0406384	0.289067
Brugia malayi	nuclear hormone receptor	0.542118	0.971817	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0138568	0.0124555	0.0885979
Brugia malayi	conserved hypotetical protein	0.0138568	0.0124555	0.0128167
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0293755	0.0406384	0.269159
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0293755	0.0406384	0.041817
Schistosoma mansoni	thyroid hormone receptor	0.0293755	0.0406384	0.269159
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0844097	0.140585	1
Loa Loa (eye worm)	hypothetical protein	0.0676495	0.110147	0.113341
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0293755	0.0406384	0.041817
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0293755	0.0406384	0.289067
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0293755	0.0406384	0.269159
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0688911	0.112402	0.744466
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0293755	0.0406384	0.041817
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0108335	0.00696491	0.5
Brugia malayi	nuclear receptor RXR	0.0155186	0.0154734	0.0159221
Onchocerca volvulus		0.0138568	0.0124555	0.0123017
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0293755	0.0406384	0.269159
Onchocerca volvulus	Galectin homolog	0.0676495	0.110147	0.110008
Loa Loa (eye worm)	hypothetical protein	0.0138568	0.0124555	0.0128167
Schistosoma mansoni	nuclear receptor	0.0138568	0.0124555	0.082496
Schistosoma mansoni	casein kinase II beta subunit	0.00708413	0.000155753	0.00103159
Brugia malayi	galectin	0.0676495	0.110147	0.113341
Loa Loa (eye worm)	hypothetical protein	0.0293755	0.0406384	0.041817
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0138568	0.0124555	0.0885979
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0293755	0.0406384	0.041817
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0138568	0.0124555	0.0123017
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0108335	0.00696491	1
Brugia malayi	galectin	0.0676495	0.110147	0.113341
Loa Loa (eye worm)	hypothetical protein	0.0676495	0.110147	0.113341

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 2.07 uM	Antitrypanosomal activity against Trypanosoma brucei 427 at pH 7.4	ChEMBL.	18281929
IC50 (functional)	= 2.07 uM	Antitrypanosomal activity against Trypanosoma brucei 427 at pH 7.4	ChEMBL.	18281929
IC90 (functional)	= 2.65 uM	Antitrypanosomal activity against Trypanosoma brucei 427 at pH 7.4	ChEMBL.	18281929
IC90 (functional)	= 2.65 uM	Antitrypanosomal activity against Trypanosoma brucei 427 at pH 7.4	ChEMBL.	18281929

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Trypanosoma brucei	ChEMBL23	18281929

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 524574