TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 455.014 | Formula: C19H19ClN2O3S3
H donors: 1 H acceptors: 4 LogP: 6.15 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCCCC(C(=O)NS(=O)(=O)c1ccccc1)Sc1nc2c(s1)ccc(c2)Cl
InChi: 1S/C19H19ClN2O3S3/c1-2-3-9-17(18(23)22-28(24,25)14-7-5-4-6-8-14)27-19-21-15-12-13(20)10-11-16(15)26-19/h4-8,10-12,17H,2-3,9H2,1H3,(H,22,23)
InChiKey: VXSIFSMRYRVXND-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	peroxisome proliferator-activated receptor alpha	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K08701 nuclear receptor, subfamily 1, invertebrate, putative	Get druggable targets OG5_137778	All targets in OG5_137778
Schistosoma japonicum	IPR008946,Nuclear receptor, ligand-binding,domain-containing	Get druggable targets OG5_137778	All targets in OG5_137778
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	Get druggable targets OG5_137778	All targets in OG5_137778

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	ecdysteroid receptor	peroxisome proliferator-activated receptor alpha	468 aa	397 aa	25.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0037	0.0031	0.0055
Echinococcus granulosus	thioredoxin glutathione reductase	0.0054	0.0098	0.0085
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0105	0.03	0.6088
Brugia malayi	Probable ClpP-like protease	0.016	0.052	0.1648
Echinococcus granulosus	jun protein	0.0802	0.3084	0.3075
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0251	0.0882	0.3547
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0168	0.0553	0.1757
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.014	0.0439	0.1766
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.016	0.052	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.016	0.052	0.7245
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0033	0.0014	0.0055
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.016	0.052	1
Loa Loa (eye worm)	hypothetical protein	0.0249	0.0877	0.2904
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0137	0.0553
Toxoplasma gondii	aldehyde dehydrogenase	0.0063	0.0132	0.1839
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0168	0.0553	0.1814
Onchocerca volvulus	Netrin receptor homolog	0.0249	0.0877	0.3635
Schistosoma mansoni	RAR-like nuclear receptor	0.0033	0.0014	0.0055
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.0132	0.0069
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.016	0.052	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0802	0.3084	0.3075
Echinococcus multilocularis	Ankyrin	0.0251	0.0882	0.0869
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0837	0.3223	0.3214
Schistosoma mansoni	jun-related protein	0.0653	0.2486	1
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.016	0.052	1
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0062	0.0129	0.9734
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0063	0.0132	0.0119
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.016	0.052	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0033	0.0014	0.0001
Brugia malayi	hypothetical protein	0.0628	0.2389	0.7736
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0168	0.0553	0.054
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0018	0.0073
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0018	0.0073
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0249	0.0877	0.2812
Entamoeba histolytica	hypothetical protein	0.0115	0.0343	1
Loa Loa (eye worm)	hypothetical protein	0.0223	0.0771	0.2547
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0018	0.0015
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0209	0.0717	0.2886
Echinococcus granulosus	lysosomal alpha glucosidase	0.0168	0.0553	0.0541
Entamoeba histolytica	hypothetical protein	0.0115	0.0343	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.016	0.052	0.7245
Onchocerca volvulus		0.0034	0.0018	0.0019
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0037	0.0031	0.0017
Brugia malayi	Pre-SET motif family protein	0.0238	0.0833	0.2669
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.014	0.0439	0.4372
Echinococcus granulosus	netrin receptor unc 5	0.0249	0.0877	0.0865
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0209	0.0717	0.2886
Onchocerca volvulus		0.0272	0.0969	0.4022
Entamoeba histolytica	hypothetical protein	0.0115	0.0343	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0115	0.0343	0.0329
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0249	0.0877	0.0865
Brugia malayi	glutathione reductase	0.0054	0.0098	0.0274
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0034	0.0018	0.0073
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.007	0.0057
Loa Loa (eye worm)	hypothetical protein	0.014	0.0439	0.143
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0062	0.0129	0.0116
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0124	0.0375	0.8342
Schistosoma mansoni	peptidase Clp (S14 family)	0.016	0.052	0.2091
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0037	0.0031	0.0057
Brugia malayi	Thioredoxin reductase	0.0054	0.0098	0.0274
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0137	0.0416
Onchocerca volvulus		0.0223	0.0771	0.3188
Schistosoma mansoni	retinoic acid receptor RXR	0.0033	0.0014	0.0055
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0137	0.0553
Brugia malayi	MH2 domain containing protein	0.0121	0.0364	0.114
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0115	0.0343	0.033
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0124	0.0375	0.8342
Loa Loa (eye worm)	hypothetical protein	0.0251	0.0882	0.292
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0062	0.0129	0.0946
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.007	0.0057
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0137	0.0553
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.2536	1	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.0132	0.0531
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0054	0.0098	0.0084
Trypanosoma cruzi	trypanothione reductase, putative	0.0054	0.0098	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0063	0.0132	0.0118
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0137	0.0553
Schistosoma mansoni	thyroid hormone receptor	0.0033	0.0014	0.0055
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.007	0.0057
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0137	0.0416
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0249	0.0877	0.0865
Mycobacterium tuberculosis	Probable oxidoreductase	0.0137	0.043	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0033	0.0014	0.0055
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0105	0.03	0.4744
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0209	0.0717	0.2886
Brugia malayi	Pre-SET motif family protein	0.0034	0.0018	0.0015
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0802	0.3084	0.3075
Brugia malayi	Death domain containing protein	0.0249	0.0877	0.2812
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.0132	0.0069
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0124	0.0375	0.8342
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0137	0.0124
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0033	0.0014	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0778	0.2987	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0033	0.0014	0.0001
Trypanosoma brucei	trypanothione reductase	0.0054	0.0098	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.007	0.019
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0137	0.043	0.7849
Toxoplasma gondii	hypothetical protein	0.0055	0.0102	0.1415
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0033	0.0014	0.0055
Schistosoma mansoni	alpha glucosidase	0.0037	0.0031	0.0124
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0033	0.0014	0.0001
Onchocerca volvulus		0.0628	0.2389	1
Brugia malayi	Protein kinase domain containing protein	0.0249	0.0877	0.2812
Plasmodium vivax	glutathione reductase, putative	0.0054	0.0098	0.1589
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0137	0.043	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0137	0.043	1
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0137	0.0124
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.016	0.052	0.5
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.014	0.0439	0.1766
Schistosoma mansoni	hypothetical protein	0.0653	0.2486	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.007	0.0282
Toxoplasma gondii	melibiase subfamily protein	0.0209	0.0717	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.007	0.0282
Brugia malayi	bZIP transcription factor family protein	0.0802	0.3084	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0055	0.0102	0.1662
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0033	0.0014	0.0055
Loa Loa (eye worm)	glutathione reductase	0.0054	0.0098	0.0283
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.007	0.0184
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.007	0.0282
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0055	0.0102	0.0087
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0034	0.0018	0.0004
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0137	0.0553
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0033	0.0014	0.0055
Schistosoma mansoni	hypothetical protein	0.0249	0.0877	0.3529
Echinococcus granulosus	ecdysone induced protein 78C	0.0033	0.0014	0.0001
Loa Loa (eye worm)	MH2 domain-containing protein	0.0121	0.0364	0.1177
Echinococcus granulosus	Ankyrin	0.0251	0.0882	0.087
Schistosoma mansoni	hypothetical protein	0.0115	0.0343	0.1378
Brugia malayi	Melibiase family protein	0.014	0.0439	0.1385
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0033	0.0014	0.0055
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0124	0.0375	0.6533
Brugia malayi	RNA binding protein	0.0064	0.0137	0.0403
Loa Loa (eye worm)	hypothetical protein	0.016	0.052	0.1702
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0209	0.0717	0.2886
Echinococcus granulosus	neutral alpha glucosidase AB	0.0037	0.0031	0.0018
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0137	0.0403
Loa Loa (eye worm)	transcription factor SMAD2	0.0121	0.0364	0.1177
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0033	0.0014	0.0055
Echinococcus multilocularis	jun protein	0.0802	0.3084	0.3075
Schistosoma mansoni	coup transcription factor	0.0033	0.0014	0.0055
Echinococcus granulosus	FTZ F1 alpha	0.0033	0.0014	0.0001
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.016	0.052	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0105	0.03	0.0287
Schistosoma mansoni	transcription factor LCR-F1	0.0115	0.0343	0.1378
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.0132	0.0531
Echinococcus multilocularis	netrin receptor unc 5	0.0249	0.0877	0.0865
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0432	0.1607	0.6463
Plasmodium vivax	thioredoxin reductase, putative	0.0054	0.0098	0.1589
Schistosoma mansoni	thyroid hormone receptor	0.0033	0.0014	0.0055
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0124	0.0375	0.8342
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.016	0.052	0.0507
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0249	0.0877	0.2904
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0034	0.0018	0.0253
Schistosoma mansoni	alpha-glucosidase	0.0145	0.046	0.1849
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.0132	0.0069
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0238	0.0833	0.2756
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0033	0.0014	0.0001
Mycobacterium tuberculosis	Probable reductase	0.0124	0.0375	0.8342
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0033	0.0014	0.0001
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0033	0.0014	0.0001
Brugia malayi	TAR-binding protein	0.0064	0.0137	0.0403
Onchocerca volvulus		0.0097	0.027	0.1079
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0054	0.0098	0.0283
Echinococcus granulosus	peptidase Clp S14 family	0.0105	0.03	0.0287
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.016	0.052	0.0507
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0209	0.0717	0.0705
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0062	0.0129	0.0376
Mycobacterium tuberculosis	Probable dehydrogenase	0.0124	0.0375	0.8342
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0168	0.0553	0.054
Toxoplasma gondii	thioredoxin reductase	0.0054	0.0098	0.1364
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0209	0.0717	0.0705
Leishmania major	trypanothione reductase	0.0054	0.0098	0.6632
Echinococcus granulosus	death domain containing protein	0.0249	0.0877	0.0865
Schistosoma mansoni	nuclear hormone receptor	0.0033	0.0014	0.0055
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0063	0.0132	1
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0062	0.0129	0.052
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.016	0.052	1
Brugia malayi	hypothetical protein	0.0115	0.0343	0.1071
Schistosoma mansoni	netrin receptor unc5	0.0249	0.0877	0.3529
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0137	0.0416
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0063	0.0132	0.1027
Entamoeba histolytica	hypothetical protein	0.0115	0.0343	1
Brugia malayi	cyclic AMP-response element binding protein 1 gamma 1, putative	0.0223	0.0771	0.2466
Schistosoma mansoni	alpha-glucosidase	0.0145	0.046	0.1849
Loa Loa (eye worm)	thioredoxin reductase	0.0054	0.0098	0.0283
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0034	0.0018	0.0004
Brugia malayi	Uncoordinated protein 44	0.0249	0.0877	0.2812
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0105	0.03	0.6088
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0018	0.0073
Trichomonas vaginalis	set domain proteins, putative	0.0271	0.0964	1
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0062	0.0129	0.0116
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.007	0.0057
Schistosoma mansoni	ankyrin 23/unc44	0.0249	0.0877	0.3529
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0209	0.0717	0.0705
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0037	0.0031	0.0428
Echinococcus granulosus	histone lysine methyltransferase setb	0.0034	0.0018	0.0005
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.016	0.052	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
FC (functional)	= 0.003	Antagonist activity at PPARalpha in human HepG2 cells assessed as inhibition of GW7647-induced CPT1A mRNA expression at 150 uM after 48 hrs by RT-PCR analysis relative to control	ChEMBL.	21742490
FC (functional)	= 0.005	Antagonist activity at PPARalpha in human HepG2 cells assessed as inhibition of CPT1A mRNA expression at 150 uM after 48 hrs by RT-PCR analysis relative to control	ChEMBL.	21742490
FC (binding)	= 0.01	Agonist activity at PPARalpha ligand binding domain expressed in HEK293 cells co-expressing GAL4 at 150 uM after 18 hrs by dual-luciferase activity based transactivation assay relative to control	ChEMBL.	21742490
IC50 (binding)	= 19.9 uM	Antagonist activity at PPARalpha ligand binding domain expressed in HEK293 cells co-expressing GAL4 assessed as inhibition of GW7647-induced transactivation activity after 18 hrs by dual-luciferase assay	ChEMBL.	21742490

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: CHEMBL1808554

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 1022726