TDR Targets

Basic information

Technical information

TDR Targets ID: 1603786
Name: NSC655295
MW: 516.58 | Formula: C28H36O9
H donors: 4 H acceptors: 6 LogP: 3.63 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)C(=O)O.COc1cc(CCCC(COc2cccc3c2C2(C3CCCCC2)O)O)cc(c1)OC
InChi: 1S/C26H34O5.C2H2O4/c1-29-20-14-18(15-21(16-20)30-2)8-6-9-19(27)17-31-24-12-7-10-22-23-11-4-3-5-13-26(23,28)25(22)24;3-1(4)2(5)6/h7,10,12,14-16,19,23,27-28H,3-6,8-9,11,13,17H2,1-2H3;(H,3,4)(H,5,6)
InChiKey: NTLYDIQHAKFDBT-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
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0052	0.0052
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0005	0.0008	0.0008
Schistosoma mansoni	coup transcription factor	0.001	0.0078	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0008	0.0003
Entamoeba histolytica	hypothetical protein	0.0525	0.651	0.4682
Onchocerca volvulus		0.003	0.0318	1
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0078	0.0069
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0078	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0016	0.0011
Schistosoma mansoni	smad	0.0008	0.0052	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0008	0.0003
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0052	0.0047
Schistosoma mansoni	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.0803	1	1
Echinococcus granulosus	smad	0.0008	0.0052	0.0044
Loa Loa (eye worm)	dUTP diphosphatase	0.0803	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0078	0.0073
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0016	0.0011
Trichomonas vaginalis	deoxyuridine 5'-triphosphate nucleotidohydrolase, putative	0.0803	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0078	0.0073
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0039	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0008	0.0003
Onchocerca volvulus		0.001	0.0078	0.2229
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0078	0.0073
Schistosoma mansoni	nuclear receptor	0.0005	0.0008	0.0008
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0078	0.0069
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.006	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0008	0.0003
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0078	0.0073
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0006	0.0016	0.0016
Brugia malayi	conserved hypotetical protein	0.0005	0.0008	0.0003
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0078	0.0073
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0005	0.0008	0.0003
Mycobacterium ulcerans	deoxycytidine triphosphate deaminase	0.0279	0.3437	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0078	0.0073
Schistosoma mansoni	zinc finger protein	0.0005	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0008	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0008	0.0003
Schistosoma mansoni	cpg binding protein	0.003	0.0318	0.0318
Echinococcus multilocularis	smad	0.0008	0.0052	0.0044
Schistosoma mansoni	Smad4	0.0008	0.0052	0.0052
Entamoeba histolytica	hypothetical protein	0.0803	1	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0078	0.0069
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0052	0.0052
Loa Loa (eye worm)	hypothetical protein	0.001	0.0078	0.0073
Brugia malayi	hypothetical protein	0.0005	0.0008	0.0003
Schistosoma mansoni	nuclear hormone receptor	0.0005	0.0008	0.0008
Brugia malayi	MH2 domain containing protein	0.0008	0.0052	0.0047
Echinococcus multilocularis	dnaJ subfamily B	0.0423	0.5241	0.5237
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0078	0.0073
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0052	0.0047
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0039	0.0031
Treponema pallidum	deoxyuridine 5'-triphosphate nucleotidohydrolase (dut)	0.0803	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.0078	0.0073
Brugia malayi	MH1 domain containing protein	0.0008	0.0052	0.0047
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0078	0.0078
Loa Loa (eye worm)	hypothetical protein	0.001	0.0078	0.0073
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0078	0.0069
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative	0.0803	1	1
Schistosoma mansoni	cpg binding protein	0.0031	0.034	0.034
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0078	0.0078
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0078	0.0069
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0078	0.0073
Brugia malayi	hypothetical protein	0.0005	0.0008	0.0003
Wolbachia endosymbiont of Brugia malayi	dUTPase	0.0803	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0016	0.0011
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0078	0.0073
Loa Loa (eye worm)	MH2 domain-containing protein	0.0124	0.1492	0.1488
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0078	0.0073
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0052	0.0052
Echinococcus granulosus	dnaJ subfamily B	0.0423	0.5241	0.5237
Loa Loa (eye worm)	hypothetical protein	0.001	0.0078	0.0073
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0078	0.0069
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0078	0.0073
Loa Loa (eye worm)	hypothetical protein	0.001	0.0078	0.0073
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0062	0.0053
Entamoeba histolytica	hypothetical protein	0.0803	1	1
Echinococcus granulosus	Smad4	0.0008	0.0052	0.0044
Schistosoma mansoni	nuclear hormone receptor	0.0005	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0016	0.0011
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0005	0.0008	0.0003
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0078	0.0078
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0006	0.0016	0.0007
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0078	0.0073
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0078	0.0078
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.0052	0.0044
Schistosoma mansoni	nuclear receptor	0.0005	0.0008	0.0008
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0039	0.0039
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0078	0.0073
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0005	0.0008	0.0003
Loa Loa (eye worm)	hypothetical protein	0.001	0.0078	0.0073
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.0052	0.0044
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0078	0.0073
Echinococcus multilocularis	cpg binding protein	0.0031	0.034	0.0332
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0078	0.2229
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0006	0.0016	0.0011
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0078	0.0078
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0005	0.0008	0.0008
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0078	0.0069
Brugia malayi	nuclear hormone receptor family member odr-7	0.0005	0.0008	0.0003
Loa Loa (eye worm)	hypothetical protein	0.001	0.0078	0.0073
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0078	0.0069
Brugia malayi	CXXC zinc finger family protein	0.003	0.0318	0.0314
Echinococcus granulosus	cpg binding protein	0.0031	0.034	0.0332
Chlamydia trachomatis	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.0803	1	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0039	0.0031
Brugia malayi	nuclear receptor RXR	0.0005	0.0008	0.0003
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.0735	0.0735
Brugia malayi	nuclear receptor RXR	0.0006	0.0016	0.0011
Brugia malayi	ecdysone receptor	0.0005	0.0008	0.0003
Loa Loa (eye worm)	nuclear hormone receptor	0.0005	0.0008	0.0003
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0078	0.2229
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0078	0.0073
Loa Loa (eye worm)	transcription factor SMAD2	0.0124	0.1492	0.1488
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0078	0.0078
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0803	1	1
Schistosoma mansoni	hypothetical protein	0.0423	0.5241	0.5241
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0803	1	1
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0078	0.0078
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0078	0.2229
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0078	0.0069
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0078	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0008	0.0003
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0078	0.0069
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.0052	0.0044
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0078	0.0073
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0318	0.0314
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0006	0.0016	0.0016
Brugia malayi	Nuclear hormone receptor E75	0.0005	0.0008	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0008	0.0003
Loa Loa (eye worm)	hypothetical protein	0.001	0.0078	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0008	0.0003
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0078	0.0078
Brugia malayi	nuclear hormone receptor	0.0005	0.0008	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0016	0.0011
Brugia malayi	hypothetical protein	0.0006	0.0016	0.0011
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0078	0.0069
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0078	0.0073
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0062	0.0057
Brugia malayi	MH2 domain containing protein	0.0008	0.0052	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0008	0.0003
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0803	1	1
Brugia malayi	steroid hormone receptor	0.001	0.0078	0.0073
Brugia malayi	Nuclear hormone receptor E75	0.0005	0.0008	0.0003
Plasmodium vivax	deoxyuridine 5'-triphosphate nucleotidohydrolase, putative	0.0803	1	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0078	0.0069
Echinococcus granulosus	dUTP pyrophosphatase	0.0803	1	1
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0803	1	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0005	0.0008	0.0003
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0078	0.0069
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0039	0.0031
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0078	0.0069
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0078	0.0069
Echinococcus multilocularis	Smad4	0.0008	0.0052	0.0044
Brugia malayi	nuclear hormone receptor	0.001	0.0078	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0008	0.0003
Plasmodium falciparum	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.0803	1	0.5
Brugia malayi	ecdysteroid receptor	0.001	0.0078	0.0073
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0078	0.0073
Schistosoma mansoni	cpg binding protein	0.0031	0.034	0.034
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0005	0.0008	0.0003
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0078	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0016	0.0011
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0078	0.0073
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0078	0.0078
Echinococcus multilocularis	dUTP pyrophosphatase	0.0803	1	1
Brugia malayi	MH1 domain containing protein	0.0008	0.0052	0.0047
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0006	0.0016	0.0007
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0078	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0008	0.0003
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0078	0.0073
Brugia malayi	MH2 domain containing protein	0.0124	0.1492	0.1488
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0078	0.0069
Schistosoma mansoni	nuclear receptor nhr-48	0.0005	0.0008	0.0008
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0078	0.0073
Mycobacterium ulcerans	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.0279	0.3437	0.5
Loa Loa (eye worm)	Smad1	0.0008	0.0052	0.0047
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0078	0.0078
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0078	0.0069
Loa Loa (eye worm)	DR-78	0.0005	0.0008	0.0003
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative	0.0803	1	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0062	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0016	0.0011
Brugia malayi	nuclear receptor NHR-88	0.001	0.0078	0.0073
Brugia malayi	nuclear receptor NHR-67	0.0005	0.0008	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0008	0.0003
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.0052	0.0044
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0078	0.0073
Mycobacterium leprae	PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE)	0.0279	0.3437	0.5
Brugia malayi	Smad1	0.0008	0.0052	0.0047
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0052	0.0052
Brugia malayi	hypothetical protein	0.0006	0.0016	0.0011
Brugia malayi	tailless protein	0.0005	0.0008	0.0003
Mycobacterium tuberculosis	Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase)	0.0279	0.3437	0.5
Toxoplasma gondii	deoxyuridine 5'-triphosphate nucleotidohydrolase, putative	0.0803	1	1
Entamoeba histolytica	hypothetical protein	0.0525	0.651	0.4682
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0078	0.0078
Brugia malayi	nuclear receptor NHR-88	0.0005	0.0008	0.0003

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-5.323	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-5.105	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.873	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.812	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.805	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.795	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.771	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.764	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.653	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	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: CHEMBL1967686

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 1603786