TDR Targets

Basic information

Technical information

TDR Targets ID: 1627628
Name: ethyl 5-cyano-2-methyl-4-naphthalen-1-yl-6-su lfanylidene-1-[3,4,5-triacetyloxy-6-(acetylox ymethyl)oxan-2-yl]pyridine-3-carboxylate
MW: 678.706 | Formula: C34H34N2O11S
H donors: 0 H acceptors: 6 LogP: 3.27 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: CCOC(=O)c1c(C)n(C2OC(COC(=O)C)C(C(C2OC(=O)C)OC(=O)C)OC(=O)C)c(=S)c(c1c1cccc2c1cccc2)C#N
InChi: 1S/C34H34N2O11S/c1-7-42-34(41)27-17(2)36(33(48)25(15-35)28(27)24-14-10-12-22-11-8-9-13-23(22)24)32-31(46-21(6)40)30(45-20(5)39)29(44-19(4)38)26(47-32)16-43-18(3)37/h8-14,26,29-32H,7,16H2,1-6H3
InChiKey: VEHGZWVRQJUION-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

ethyl 5-cyano-2-methyl-4-(1-naphthyl)-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate
5-cyano-2-methyl-4-(1-naphthyl)-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)-2-tetrahydropyranyl]-3-pyridinecarboxylic acid ethyl ester
5-cyano-2-methyl-4-(1-naphthyl)-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]nicotinic acid ethyl ester
NCI60_023511
3-Pyridinecarboxylic acid, 5-cyano-1,6-dihydro-2-methyl-4-(1-naphthalenyl)-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-6-thioxo-, ethyl ester
AIDS-144587
AIDS144587
NSC667535

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
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0088	0.4008
Trypanosoma brucei	polo-like protein kinase	0.0103	0.0664	0.8601
Loa Loa (eye worm)	solute carrier family 8	0.146	1	1
Brugia malayi	6-phosphofructokinase	0.0119	0.0771	0.1925
Echinococcus granulosus	sodium:potassium:calcium exchanger	0.0037	0.0209	0.0201
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0007	0.0094
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0008	0.0007	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0133	0.0126
Schistosoma mansoni	hypothetical protein	0.0446	0.3024	0.3019
Giardia lamblia	Kinase, PLK	0.0103	0.0664	1
Loa Loa (eye worm)	hypothetical protein	0.0584	0.3973	0.3969
Trichomonas vaginalis	phosphofructokinase, putative	0.0032	0.0175	0.0896
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0103	0.0664	0.0657
Plasmodium vivax	6-phosphofructokinase, putative	0.0032	0.0175	0.8351
Onchocerca volvulus	Sodium\/potassium\/calcium exchanger	0.0037	0.0209	0.3066
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0133	0.1646
Brugia malayi	serine/threonine-protein kinase plk-2	0.0103	0.0664	0.1655
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0171	0.0163
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0021	0.0034
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0133	0.0658
Trichomonas vaginalis	CAMK family protein kinase	0.0051	0.0306	0.1578
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0133	0.0126
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0133	0.0658
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0133	0.0317
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0008	0.0007	0.0094
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0133	0.1646
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0032	0.0175	0.0896
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0103	0.0664	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0133	0.1646
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0133	0.0658
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0133	0.0317
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0103	0.0664	0.8601
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0088	0.0081
Echinococcus multilocularis	6 phosphofructokinase	0.0119	0.0771	0.0764
Trypanosoma cruzi	polo-like protein kinase, putative	0.0103	0.0664	0.8601
Schistosoma mansoni	cpg binding protein	0.0033	0.0183	0.0176
Brugia malayi	6-phosphofructokinase	0.0119	0.0771	0.1925
Echinococcus granulosus	sodium:potassium:calcium exchanger 6	0.0037	0.0209	0.0201
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0209	0.1069
Schistosoma mansoni	potassium-dependent sodium-calcium exchanger 3 4	0.0037	0.0209	0.0201
Trichomonas vaginalis	CAMK family protein kinase	0.0103	0.0664	0.3447
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0088	0.0081
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0258	0.1727	0.9
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0171	0.0412
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0103	0.0664	0.0657
Entamoeba histolytica	phosphofructokinase, putative	0.0119	0.0771	1
Entamoeba histolytica	phosphofructokinase, putative	0.0119	0.0771	1
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0032	0.0175	0.2202
Mycobacterium leprae	Probable ionic transporter integral membrane protein ChaA	0.0037	0.0209	0.2637
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0022	0.0014
Trypanosoma cruzi	polo-like protein kinase, putative	0.0103	0.0664	0.8601
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0103	0.0664	0.0657
Schistosoma mansoni	cpg binding protein	0.0031	0.0171	0.0163
Brugia malayi	glutaminase DH11.1	0.0285	0.1918	0.4818
Toxoplasma gondii	phosphofructokinase PFKII	0.0032	0.0175	0.4722
Echinococcus granulosus	dnaJ subfamily B	0.0446	0.3024	0.3019
Schistosoma mansoni	6-phosphofructokinase	0.0119	0.0771	0.0764
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0133	0.0658
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0008	0.0007	0.0094
Schistosoma mansoni	kinase	0.0052	0.0315	0.0308
Trichomonas vaginalis	phosphofructokinase, putative	0.0032	0.0175	0.0896
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0119	0.0771	1
Loa Loa (eye worm)	glutaminase 2	0.0285	0.1918	0.1912
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0008	0.0007	0.0094
Brugia malayi	Na/Ca eXchangers family member (ncx-4)	0.0037	0.0209	0.0508
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0133	0.0658
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0009	0.0001
Entamoeba histolytica	phosphofructokinase, putative	0.0119	0.0771	1
Echinococcus granulosus	6 phosphofructokinase	0.0119	0.0771	0.0764
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0133	0.1646
Trichomonas vaginalis	CAMK family protein kinase	0.0103	0.0664	0.3447
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0133	0.0658
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0133	0.0658
Mycobacterium ulcerans	glutaminase	0.0285	0.1918	1
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0032	0.0175	0.8351
Brugia malayi	K+-dependent Na+/Ca+ exchanger related-protein	0.0037	0.0209	0.0508
Schistosoma mansoni	cpg binding protein	0.0033	0.0183	0.0176
Onchocerca volvulus		0.0031	0.0171	0.2487
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0007	0.0094
Plasmodium falciparum	cation/H+ antiporter	0.0037	0.0209	1
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0008	0.0007	0.0094
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0133	0.0317
Toxoplasma gondii	6-phosphofructokinase	0.0032	0.0175	0.4722
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0133	0.1646
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0133	0.1725
Echinococcus multilocularis	dnaJ subfamily B	0.0446	0.3024	0.3019
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0009	0.0001
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0009	0.0001
Trichomonas vaginalis	CAMK family protein kinase	0.0103	0.0664	0.3447
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0119	0.0771	1
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0008	0.0007	0.0094
Trichomonas vaginalis	phosphofructokinase, putative	0.0032	0.0175	0.0896
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0032	0.0175	0.4722
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0209	0.0201
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0007	0.0094
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0209	0.1069
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0119	0.0771	1
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0007	0.0094
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0081	0.1047
Plasmodium vivax	6-phosphofructokinase, putative	0.0032	0.0175	0.8351
Schistosoma mansoni	potassium-dependent sodium-calcium exchanger 3 4	0.0037	0.0209	0.0201
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0009	0.0001
Brugia malayi	phosphofructokinase	0.0119	0.0771	0.1925
Echinococcus granulosus	cpg binding protein	0.0033	0.0183	0.0176
Entamoeba histolytica	sodium/calcium exchanger protein, putative	0.0037	0.0209	0.2637
Loa Loa (eye worm)	glutaminase	0.0285	0.1918	0.1912
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0133	0.1646
Trichomonas vaginalis	CAMK family protein kinase	0.0103	0.0664	0.3447
Schistosoma mansoni	serine/threonine protein kinase	0.0103	0.0664	0.0657
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.0363	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0209	0.0201
Trichomonas vaginalis	CAMK family protein kinase	0.0051	0.0306	0.1578
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0258	0.1727	0.9
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0209	0.0201
Trichomonas vaginalis	phosphofructokinase, putative	0.0032	0.0175	0.0896
Trichomonas vaginalis	CAMK family protein kinase	0.0103	0.0664	0.3447
Trichomonas vaginalis	phosphofructokinase, putative	0.0032	0.0175	0.0896
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0032	0.0175	1
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0133	0.0658
Plasmodium vivax	cation/H+ antiporter, putative	0.0037	0.0209	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0119	0.0771	0.4005
Loa Loa (eye worm)	Na/Ca eXchangers family member	0.0037	0.0209	0.0201
Treponema pallidum	hypothetical protein	0.0037	0.0209	0.0558
Leishmania major	ATP-dependent phosphofructokinase	0.0119	0.0771	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0119	0.0771	0.4005
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0022	0.0014
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0103	0.0664	0.8601
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0088	0.1141
Schistosoma mansoni	glutaminase	0.0285	0.1918	0.1912
Trichomonas vaginalis	antibiotic synthetase, putative	0.0008	0.0007	0.0018
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0133	0.1725
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.0088	0.4008
Brugia malayi	Sodium/calcium exchanger protein	0.0584	0.3973	1
Echinococcus multilocularis	sodium:potassium:calcium exchanger 6	0.0037	0.0209	0.0201
Mycobacterium tuberculosis	Probable ionic transporter integral membrane protein ChaA	0.0037	0.0209	0.2707
Mycobacterium ulcerans	6-phosphofructokinase	0.0119	0.0771	0.3995
Schistosoma mansoni	sodium/calcium exchanger	0.146	1	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0088	0.0081
Echinococcus multilocularis	cpg binding protein	0.0033	0.0183	0.0176
Loa Loa (eye worm)	6-phosphofructokinase	0.0119	0.0771	0.0764
Trichomonas vaginalis	phosphofructokinase, putative	0.0119	0.0771	0.4005
Toxoplasma gondii	manganese resistance 1 protein, putative	0.0037	0.0209	0.5655
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.0133	0.1646
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.0088	0.0422
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0119	0.0771	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0022	0.0014
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0032	0.0175	1
Echinococcus multilocularis	sodium:potassium:calcium exchanger	0.0037	0.0209	0.0201
Schistosoma mansoni	hypothetical protein	0.0037	0.0209	0.0201
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0209	0.1069
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0066	0.0412	0.0405
Schistosoma mansoni	6-phosphofructokinase	0.0119	0.0771	0.0764
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0119	0.0771	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0133	0.1646
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0081	0.1047
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0133	0.0126
Schistosoma mansoni	na/ca exchanger	0.0037	0.0209	0.0201
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0081	0.1047
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0081	0.1047
Loa Loa (eye worm)	phosphofructokinase	0.0119	0.0771	0.0764
Trichomonas vaginalis	glutaminase, putative	0.0285	0.1918	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0119	0.0771	0.4005
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0088	0.0081
Trichomonas vaginalis	CAMK family protein kinase	0.0103	0.0664	0.3447
Echinococcus multilocularis	sodium calcium exchanger	0.146	1	1
Trichomonas vaginalis	antibiotic synthetase, putative	0.0008	0.0007	0.0018
Loa Loa (eye worm)	6-phosphofructokinase	0.0119	0.0771	0.0764
Onchocerca volvulus		0.0026	0.0133	0.1914
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0088	0.0081
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0009	0.0001
Trichomonas vaginalis	CAMK family protein kinase	0.0103	0.0664	0.3447
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0032	0.0175	0.8351
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0008	0.0007	0.0094
Trichomonas vaginalis	phosphofructokinase, putative	0.0032	0.0175	0.0896

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-5.879	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	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	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	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	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	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)	-4	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
GI50 (functional)	-4	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	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	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	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

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: CHEMBL1991555

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1627628