TDR Targets

Basic information

Technical information

TDR Targets ID: 1276921
Name: (2R,3R,4S,5R)-6,6-bis(ethylsulfanyl)hexane-1, 2,3,4,5-pentol
MW: 286.409 | Formula: C10H22O5S2
H donors: 5 H acceptors: 5 LogP: -0.73 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCSC([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)SCC
InChi: 1S/C10H22O5S2/c1-3-16-10(17-4-2)9(15)8(14)7(13)6(12)5-11/h6-15H,3-5H2,1-2H3/t6-,7-,8+,9-/m1/s1
InChiKey: BTOYCPDACQXQRS-LURQLKTLSA-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

(2R,3R,4S,5R)-6,6-bis(ethylthio)hexane-1,2,3,4,5-pentol
ZINC02146029
D-GLUCOSE DIETHYL MERCAPTAL
MLS000028527
SMR000058293

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0042	0.0097	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0101	0.0977
Schistosoma mansoni	alpha-glucosidase	0.0156	0.0553	0.099
Echinococcus multilocularis	protein patched	0.0088	0.0281	0.0195
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.1229	0.4866	1
Brugia malayi	hypothetical protein	0.0043	0.0101	0.0146
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.1229	0.4866	0.4821
Loa Loa (eye worm)	nuclear receptor NHR-67	0.058	0.2257	0.4633
Schistosoma mansoni	hypothetical protein	0.0043	0.0101	0.0047
Brugia malayi	nuclear receptor RXR	0.0649	0.2536	0.5181
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0149	0.0298
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0117	0.0179
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0117	0.0081
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.1229	0.4866	1
Loa Loa (eye worm)	hypothetical protein	0.058	0.2257	0.4633
Loa Loa (eye worm)	hypothetical protein	0.058	0.2257	0.4633
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.1229	0.4866	1
Entamoeba histolytica	acetyltransferase, GNAT family	0.0039	0.0083	0.0726
Schistosoma mansoni	hypothetical protein	0.0085	0.0268	0.0396
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0031	0.5
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0181	0.0654	0.0571
Onchocerca volvulus	Protein ultraspiracle homolog	0.1229	0.4866	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0031	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.058	0.2257	0.4539
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0101	0.0028
Entamoeba histolytica	hypothetical protein	0.0043	0.0101	0.0977
Brugia malayi	Nuclear hormone receptor-like 1	0.1229	0.4866	1
Loa Loa (eye worm)	hypothetical protein	0.058	0.2257	0.4633
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.1229	0.4866	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.0149	0.0245
Echinococcus granulosus	Protein patched homolog 1	0.0088	0.0281	0.0405
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0031	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.058	0.2257	0.4603
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0031	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.1229	0.4866	1
Brugia malayi	tailless protein	0.058	0.2257	0.4603
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.1229	0.4866	1
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0042	0.0097	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0202	0.0739	0.0656
Schistosoma mansoni	nuclear receptor	0.058	0.2257	0.4549
Schistosoma mansoni	nuclear receptor	0.058	0.2257	0.4549
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.058	0.2257	0.2188
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.1229	0.4866	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.1229	0.4866	1
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0088	0.5
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0101	0.0047
Trichomonas vaginalis	glucosylceramidase, putative	0.0287	0.108	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0088	0.0281	0.057
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.058	0.2257	0.4603
Loa Loa (eye worm)	hypothetical protein	0.058	0.2257	0.4633
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.1229	0.4866	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.058	0.2257	0.4549
Brugia malayi	nuclear receptor NHR-88	0.1229	0.4866	1
Loa Loa (eye worm)	hypothetical protein	0.1229	0.4866	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0041	0.0092	0.0127
Brugia malayi	CHE-14 protein	0.0088	0.0281	0.0518
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.1229	0.4866	0.4821
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.1229	0.4866	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.058	0.2257	0.4603
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0031	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.1229	0.4866	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.1229	0.4866	1
Loa Loa (eye worm)	hypothetical protein	0.0649	0.2536	0.5207
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.058	0.2257	0.2188
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.058	0.2257	0.4539
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0232	0.0859	0.1758
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.058	0.2257	0.4603
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0031	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.1229	0.4866	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0117	0.0062
Echinococcus granulosus	sterol regulatory element binding protein	0.0088	0.0281	0.0405
Schistosoma mansoni	coup transcription factor	0.1229	0.4866	1
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0144	0.0507	0.0895
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0004	0.139
Schistosoma mansoni	retinoic acid receptor RXR	0.1229	0.4866	1
Loa Loa (eye worm)	hypothetical protein	0.0649	0.2536	0.5207
Echinococcus multilocularis	Niemann Pick C1 protein	0.0294	0.1108	0.1029
Brugia malayi	conserved hypotetical protein	0.058	0.2257	0.4603
Loa Loa (eye worm)	hypothetical protein	0.0649	0.2536	0.5207
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0042	0.0097	0.002
Trichomonas vaginalis	glucosylceramidase, putative	0.0287	0.108	1
Loa Loa (eye worm)	hypothetical protein	0.058	0.2257	0.4633
Brugia malayi	hypothetical protein	0.058	0.2257	0.4603
Loa Loa (eye worm)	hypothetical protein	0.1229	0.4866	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0287	0.108	1
Loa Loa (eye worm)	acetyltransferase	0.0144	0.0507	0.1035
Echinococcus granulosus	ecdysone induced protein 78C	0.1229	0.4866	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.004	0.0088	0.0794
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.1229	0.4866	0.4821
Echinococcus granulosus	lysosomal alpha glucosidase	0.0181	0.0654	0.1185
Echinococcus granulosus	Nuclear hormone receptor HR96	0.058	0.2257	0.4539
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0117	0.0233
Trichomonas vaginalis	glucosylceramidase, putative	0.0198	0.0724	0.6412
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.058	0.2257	0.4539
Loa Loa (eye worm)	hypothetical protein	0.058	0.2257	0.4633
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.1229	0.4866	0.4821
Loa Loa (eye worm)	hypothetical protein	0.058	0.2257	0.4633
Onchocerca volvulus		0.0041	0.0092	0.0127
Brugia malayi	nuclear receptor NHR-67	0.058	0.2257	0.4603
Leishmania major	alpha glucosidase II subunit, putative	0.004	0.0088	1
Trypanosoma brucei	glucosidase, putative	0.004	0.0088	0.5
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.058	0.2257	0.2188
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.1229	0.4866	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0287	0.108	1
Echinococcus multilocularis	FTZ F1 alpha	0.1229	0.4866	0.4821
Loa Loa (eye worm)	hypothetical protein	0.0202	0.0739	0.151
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.1229	0.4866	1
Onchocerca volvulus		0.058	0.2257	0.4603
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0649	0.2536	0.5133
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0079	0.0099
Echinococcus granulosus	Niemann Pick C1 protein	0.0206	0.0753	0.1392
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0649	0.2536	0.5123
Brugia malayi	ecdysteroid receptor	0.1229	0.4866	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0649	0.2536	0.5133
Echinococcus granulosus	Nuclear hormone receptor HR96	0.058	0.2257	0.4539
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.058	0.2257	0.4549
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0287	0.108	0.217
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0181	0.0654	0.1337
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.0004	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0031	0.0054
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0117	0.0062
Brugia malayi	orphan nuclear receptor NR2E1	0.058	0.2257	0.4603
Brugia malayi	Nuclear hormone receptor-like 1	0.0649	0.2536	0.5181
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.1229	0.4866	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.1229	0.4866	1
Loa Loa (eye worm)	DR-78	0.058	0.2257	0.4633
Loa Loa (eye worm)	hypothetical protein	0.058	0.2257	0.4633
Onchocerca volvulus	Glucosylceramidase homolog	0.0188	0.0683	0.135
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.1229	0.4866	1
Brugia malayi	hypothetical protein	0.0649	0.2536	0.5181
Brugia malayi	Steroid receptor seven-up type 2	0.1229	0.4866	1
Echinococcus granulosus	nuclear receptor nhr 48	0.058	0.2257	0.4539
Loa Loa (eye worm)	hypothetical protein	0.1229	0.4866	1
Schistosoma mansoni	zinc finger protein	0.058	0.2257	0.4549
Trichomonas vaginalis	glucosylceramidase, putative	0.0287	0.108	1
Loa Loa (eye worm)	hypothetical protein	0.1229	0.4866	1
Echinococcus granulosus	survival motor neuron protein 1	0.0202	0.0739	0.1362
Schistosoma mansoni	hypothetical protein	0.0205	0.0749	0.14
Brugia malayi	Nuclear hormone receptor E75	0.058	0.2257	0.4603
Brugia malayi	Niemann-Pick C1 protein precursor	0.0206	0.0753	0.1494
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.1229	0.4866	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0092	0.0028
Trichomonas vaginalis	glucosylceramidase, putative	0.0188	0.0683	0.6002
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0117	0.0081
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.004	0.0088	0.0794
Echinococcus multilocularis	nuclear receptor nhr 48	0.058	0.2257	0.2188
Schistosoma mansoni	thyroid hormone receptor	0.1229	0.4866	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.1229	0.4866	0.4821
Loa Loa (eye worm)	hypothetical protein	0.058	0.2257	0.4633
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0101	0.0013
Trichomonas vaginalis	glucosylceramidase, putative	0.0198	0.0724	0.6412
Entamoeba histolytica	hypothetical protein	0.0043	0.0101	0.0977
Brugia malayi	ecdysone receptor	0.058	0.2257	0.4603
Echinococcus multilocularis	sterol regulatory element binding protein	0.0088	0.0281	0.0195
Plasmodium falciparum	histone acetyltransferase GCN5	0.0039	0.0083	1
Giardia lamblia	Histone acetyltransferase GCN5	0.0039	0.0083	0.5
Brugia malayi	nuclear hormone receptor	0.058	0.2257	0.4603
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.058	0.2257	0.2188
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.058	0.2257	0.2188
Brugia malayi	follicle stimulating hormone receptor	0.0232	0.0859	0.1713
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.1229	0.4866	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0188	0.0683	0.6002
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0042	0.0097	0.0094
Onchocerca volvulus	Bile acid receptor homolog	0.1229	0.4866	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0649	0.2536	0.5207
Schistosoma mansoni	alpha glucosidase	0.004	0.0088	0.0019
Onchocerca volvulus		0.1229	0.4866	1
Echinococcus multilocularis	expressed conserved protein	0.0193	0.0703	0.0621
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0031	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.004	0.0088	0.0119
Trichomonas vaginalis	glucosylceramidase, putative	0.0188	0.0683	0.6002
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.1229	0.4866	1
Brugia malayi	nuclear receptor NHR-88	0.058	0.2257	0.4603
Loa Loa (eye worm)	hypothetical protein	0.058	0.2257	0.4633
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.1229	0.4866	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0361	0.0734
Echinococcus multilocularis	geminin	0.0205	0.0749	0.0667
Loa Loa (eye worm)	hypothetical protein	0.1229	0.4866	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0031	0.0054
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0031	0.5
Loa Loa (eye worm)	hypothetical protein	0.0649	0.2536	0.5207
Brugia malayi	hypothetical protein	0.058	0.2257	0.4603
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0031	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0042	0.0097	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.014	0.0491	0.0843
Loa Loa (eye worm)	hypothetical protein	0.0206	0.0753	0.154
Schistosoma mansoni	nuclear hormone receptor	0.1229	0.4866	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0181	0.0654	0.0571
Echinococcus multilocularis	ecdysone induced protein 78C	0.1229	0.4866	0.4821
Schistosoma mansoni	hypothetical protein	0.0085	0.0268	0.0396
Schistosoma mansoni	survival motor neuron protein	0.0041	0.0092	0.0028
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.1229	0.4866	0.4821
Echinococcus multilocularis	protein dispatched 1	0.0101	0.0331	0.0246
Trichomonas vaginalis	glucosylceramidase, putative	0.0188	0.0683	0.6002
Schistosoma mansoni	hypothetical protein	0.0085	0.0268	0.0396
Brugia malayi	steroid hormone receptor	0.1229	0.4866	1
Schistosoma mansoni	thyroid hormone receptor	0.1229	0.4866	1
Brugia malayi	acetyltransferase, GNAT family protein	0.0144	0.0507	0.0986
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.1229	0.4866	0.4821
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0117	0.003
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0031	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.1229	0.4866	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.1229	0.4866	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0649	0.2536	0.5181
Onchocerca volvulus		0.058	0.2257	0.4603
Brugia malayi	hypothetical protein	0.0202	0.0739	0.1464
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0281	0.057
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.1229	0.4866	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0101	0.0977
Loa Loa (eye worm)	hypothetical protein	0.0649	0.2536	0.5207
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.1229	0.4866	1
Echinococcus granulosus	FTZ F1 alpha	0.1229	0.4866	1
Brugia malayi	nuclear receptor RXR	0.058	0.2257	0.4603
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0206	0.0753	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.0149	0.0245
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0287	0.108	0.2212
Loa Loa (eye worm)	steroid hormone receptor	0.1229	0.4866	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.1229	0.4866	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.1229	0.4866	1
Onchocerca volvulus		0.0105	0.0347	0.0655
Trichomonas vaginalis	glucosylceramidase, putative	0.0188	0.0683	0.6002
Trichomonas vaginalis	glucosylceramidase, putative	0.0188	0.0683	0.6002
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0144	0.0507	0.0423
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.1229	0.4866	1
Brugia malayi	Nuclear hormone receptor E75	0.058	0.2257	0.4603
Brugia malayi	nuclear hormone receptor	0.1229	0.4866	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0031	0.0054
Brugia malayi	hypothetical protein	0.0649	0.2536	0.5181
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0117	0.003
Schistosoma mansoni	nuclear receptor nhr-48	0.058	0.2257	0.4549
Echinococcus granulosus	Niemann Pick C1 protein	0.0294	0.1108	0.2135
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.058	0.2257	0.4603
Schistosoma mansoni	nuclear hormone receptor	0.058	0.2257	0.4549
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.1229	0.4866	1
Schistosoma mansoni	RAR-like nuclear receptor	0.1229	0.4866	1
Echinococcus granulosus	expressed conserved protein	0.0193	0.0703	0.1287
Loa Loa (eye worm)	hypothetical protein	0.1229	0.4866	1
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0088	0.5
Loa Loa (eye worm)	hypothetical protein	0.058	0.2257	0.4633
Trichomonas vaginalis	glucosylceramidase, putative	0.0287	0.108	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0188	0.0683	0.6002
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0031	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0206	0.0753	0.0671
Trichomonas vaginalis	conserved hypothetical protein	0.0088	0.0281	0.1949
Schistosoma mansoni	nuclear hormone receptor	0.058	0.2257	0.4549
Schistosoma mansoni	patched 1	0.0088	0.0281	0.0423
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0181	0.0654	0.129
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.004	0.0088	0.0172
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0209	0.0766	0.1436
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.1229	0.4866	1
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0042	0.0097	0.0094
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.058	0.2257	0.4633
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0117	0.0081
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.1229	0.4866	1
Schistosoma mansoni	hypothetical protein	0.0205	0.0749	0.14
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.1229	0.4866	1
Loa Loa (eye worm)	hypothetical protein	0.1229	0.4866	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0079	0.0153
Loa Loa (eye worm)	hypothetical protein	0.058	0.2257	0.4633
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0031	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.1229	0.4866	1
Schistosoma mansoni	alpha-glucosidase	0.0156	0.0553	0.099
Echinococcus granulosus	geminin	0.0205	0.0749	0.1384
Schistosoma mansoni	hypothetical protein	0.0085	0.0268	0.0396
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0649	0.2536	0.247
Loa Loa (eye worm)	nuclear hormone receptor	0.058	0.2257	0.4633
Loa Loa (eye worm)	hypothetical protein	0.1229	0.4866	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.1229	0.4866	1
Loa Loa (eye worm)	hypothetical protein	0.058	0.2257	0.4633
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.0149	0.0298
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.1229	0.4866	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.8184 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	16.3601 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	= 112.2018 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	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: CHEMBL1372335

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1276921