TDR Targets

Basic information

Technical information

TDR Targets ID: 1481913
Name: (6-ethyl-8-methylbenzo[b][1,4]benzothiazepin- 3-yl)-piperidin-1-ylmethanone
MW: 364.504 | Formula: C22H24N2OS
H donors: 0 H acceptors: 1 LogP: 4.62 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CCC1=Nc2cc(ccc2Sc2c1cc(C)cc2)C(=O)N1CCCCC1
InChi: 1S/C22H24N2OS/c1-3-18-17-13-15(2)7-9-20(17)26-21-10-8-16(14-19(21)23-18)22(25)24-11-5-4-6-12-24/h7-10,13-14H,3-6,11-12H2,1-2H3
InChiKey: VRFQGCDFBNKWAP-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

(6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)-(1-piperidyl)methanone
(6-ethyl-8-methyl-3-benzo[b][1,4]benzothiazepinyl)-(1-piperidyl)methanone
(6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)-piperidino-methanone
(6-ethyl-8-methyl-benzo[b][1,4]benzothiazepin-3-yl)-piperidin-1-yl-methanone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0217	0.0767	0.0767
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0111	0.5
Brugia malayi	hypothetical protein	0.0217	0.0767	0.0755
Entamoeba histolytica	hypothetical protein	0.0043	0.0048	0.5
Loa Loa (eye worm)	hypothetical protein	0.0217	0.0767	0.0767
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0469	0.1807	1
Echinococcus multilocularis	snurportin 1	0.0297	0.1097	0.6046
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0469	0.1807	0.1796
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0217	0.0767	0.0843
Echinococcus granulosus	nuclear receptor nhr 48	0.0217	0.0767	0.0843
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0217	0.0767	0.412
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0097	0.0469
Schistosoma mansoni	thyroid hormone receptor	0.0469	0.1807	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0217	0.0767	0.2296
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0097	0.0329
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0469	0.1807	0.1796
Brugia malayi	Nuclear hormone receptor-like 1	0.0252	0.0908	0.0897
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0469	0.1807	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0111	0.0409
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0217	0.0767	0.0767
Loa Loa (eye worm)	hypothetical protein	0.0217	0.0767	0.0767
Brugia malayi	nuclear receptor NHR-88	0.0217	0.0767	0.0755
Schistosoma mansoni	nuclear hormone receptor	0.0217	0.0767	0.412
Echinococcus multilocularis	nuclear receptor nhr 48	0.0217	0.0767	0.4205
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0469	0.1807	0.1796
Loa Loa (eye worm)	nuclear hormone receptor	0.0217	0.0767	0.0767
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0097	0.0469
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0469	0.1807	0.2005
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0469	0.1807	0.1796
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0039	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0217	0.0767	0.0767
Brugia malayi	nuclear receptor RXR	0.0217	0.0767	0.0755
Loa Loa (eye worm)	steroid hormone receptor	0.2452	1	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0048	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0469	0.1807	0.1796
Brugia malayi	RNA, U transporter 1	0.0079	0.0196	0.0183
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0469	0.1807	1
Schistosoma mansoni	nuclear receptor	0.0217	0.0767	0.412
Echinococcus multilocularis	ecdysone induced protein 78C	0.0469	0.1807	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0097	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0217	0.0767	0.0767
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0217	0.0767	0.4205
Loa Loa (eye worm)	hypothetical protein	0.006	0.0118	0.0118
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0217	0.0767	0.4205
Echinococcus granulosus	survival motor neuron protein 1	0.0228	0.0813	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0217	0.0767	0.0767
Loa Loa (eye worm)	hypothetical protein	0.0469	0.1807	0.1807
Schistosoma mansoni	hypothetical protein	0.0047	0.0061	0.0127
Echinococcus multilocularis	short transient receptor potential channel 6	0.0062	0.0125	0.0625
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0217	0.0767	0.0755
Brugia malayi	hypothetical protein	0.0043	0.0048	0.0035
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0469	0.1807	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0469	0.1807	1
Echinococcus granulosus	short transient receptor potential channel 6	0.0062	0.0125	0.0125
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0217	0.0767	0.4205
Schistosoma mansoni	hypothetical protein	0.0297	0.1097	0.5988
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0048	0.0197
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0469	0.1807	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0048	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0469	0.1807	0.1807
Echinococcus granulosus	short transient receptor potential channel 6	0.0062	0.0125	0.0125
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0469	0.1807	0.1807
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0469	0.1807	0.1796
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0039	0.0026
Echinococcus granulosus	snurportin 1	0.0297	0.1097	0.1212
Loa Loa (eye worm)	hypothetical protein	0.0252	0.0908	0.0908
Brugia malayi	Steroid receptor seven-up type 2	0.0469	0.1807	0.1796
Entamoeba histolytica	hypothetical protein	0.0043	0.0048	0.5
Brugia malayi	nuclear receptor NHR-67	0.0217	0.0767	0.0755
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0061	0.0127
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0469	0.1807	0.2005
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0256	0.0256
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0469	0.1807	0.1807
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0111	0.5
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0111	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0118	0.0105
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0111	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0469	0.1807	0.1796
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0097	0.0097
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0469	0.1807	0.1796
Loa Loa (eye worm)	hypothetical protein	0.0791	0.3135	0.3135
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0217	0.0767	0.412
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0111	0.011
Echinococcus multilocularis	FTZ F1 alpha	0.0469	0.1807	1
Echinococcus granulosus	transient receptor potential ion channel A	0.0091	0.0243	0.0257
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0111	0.5
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0111	0.0548
Loa Loa (eye worm)	hypothetical protein	0.0228	0.0813	0.0813
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0217	0.0767	0.4205
Loa Loa (eye worm)	hypothetical protein	0.0469	0.1807	0.1807
Loa Loa (eye worm)	hypothetical protein	0.0252	0.0908	0.0908
Loa Loa (eye worm)	hypothetical protein	0.0217	0.0767	0.0767
Brugia malayi	ecdysteroid receptor	0.0791	0.3135	0.3127
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0469	0.1807	0.2005
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0469	0.1807	0.1796
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0469	0.1807	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0469	0.1807	0.1796
Echinococcus multilocularis	short transient receptor potential channel 6	0.0062	0.0125	0.0625
Schistosoma mansoni	nuclear receptor nhr-48	0.0217	0.0767	0.412
Schistosoma mansoni	thyroid hormone receptor	0.0469	0.1807	1
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0048	0.0054
Brugia malayi	hypothetical protein	0.0217	0.0767	0.0755
Schistosoma mansoni	zinc finger protein	0.0217	0.0767	0.412
Brugia malayi	conserved hypotetical protein	0.0217	0.0767	0.0755
Onchocerca volvulus		0.0217	0.0767	0.2296
Schistosoma mansoni	coup transcription factor	0.0469	0.1807	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0252	0.0908	0.4992
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0469	0.1807	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0252	0.0908	0.0897
Schistosoma mansoni	nuclear receptor	0.0217	0.0767	0.412
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0469	0.1807	0.2005
Onchocerca volvulus		0.0469	0.1807	0.5677
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0013	0.0013
Schistosoma mansoni	transient receptor potential channel 4	0.0094	0.0256	0.123
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0217	0.0767	0.0755
Echinococcus granulosus	transient receptor potential gamma protein	0.0094	0.0256	0.0272
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0469	0.1807	0.1807
Brugia malayi	hypothetical protein	0.0228	0.0813	0.0801
Echinococcus granulosus	ecdysone induced protein 78C	0.0469	0.1807	0.2005
Brugia malayi	ecdysone receptor	0.0217	0.0767	0.0755
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0061	0.0048
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0097	0.0329
Brugia malayi	nuclear receptor NHR-88	0.0469	0.1807	0.1796
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0469	0.1807	0.1807
Loa Loa (eye worm)	hypothetical protein	0.0217	0.0767	0.0767
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0469	0.1807	1
Brugia malayi	nuclear hormone receptor	0.0469	0.1807	0.1796
Loa Loa (eye worm)	hypothetical protein	0.0217	0.0767	0.0767
Brugia malayi	nuclear receptor RXR	0.0252	0.0908	0.0897
Brugia malayi	hypothetical protein	0.0252	0.0908	0.0897
Brugia malayi	hypothetical protein	0.0252	0.0908	0.0897
Loa Loa (eye worm)	hypothetical protein	0.0469	0.1807	0.1807
Brugia malayi	photoreceptor-specific nuclear receptor	0.0469	0.1807	0.1796
Onchocerca volvulus	Bile acid receptor homolog	0.0791	0.3135	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0469	0.1807	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0217	0.0767	0.4205
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0252	0.0908	0.0908
Brugia malayi	nuclear hormone receptor	0.0217	0.0767	0.0755
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0469	0.1807	0.1807
Brugia malayi	orphan nuclear receptor NR2E1	0.0217	0.0767	0.0755
Loa Loa (eye worm)	hypothetical protein	0.0469	0.1807	0.1807
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0111	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0048	0.004
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0469	0.1807	0.5677
Loa Loa (eye worm)	hypothetical protein	0.0252	0.0908	0.0908
Loa Loa (eye worm)	hypothetical protein	0.0217	0.0767	0.0767
Schistosoma mansoni	transient receptor potential channel	0.0094	0.0256	0.123
Loa Loa (eye worm)	hypothetical protein	0.0252	0.0908	0.0908
Onchocerca volvulus		0.0217	0.0767	0.2296
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0217	0.0767	0.0843
Brugia malayi	nuclear hormone receptor family member odr-7	0.0217	0.0767	0.0755
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0217	0.0767	0.2296
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0111	0.0409
Brugia malayi	Nuclear hormone receptor E75	0.0217	0.0767	0.0755
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0252	0.0908	0.4918
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0112	0.0112
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0469	0.1807	0.1796
Schistosoma mansoni	transient receptor potential channel	0.0062	0.0125	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0217	0.0767	0.0767
Brugia malayi	Nuclear hormone receptor E75	0.0217	0.0767	0.0755
Loa Loa (eye worm)	hypothetical protein	0.0217	0.0767	0.0767
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0469	0.1807	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0097	0.0094
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0097	0.0084
Brugia malayi	tailless protein	0.0217	0.0767	0.0755
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0469	0.1807	0.2005
Schistosoma mansoni	nuclear hormone receptor	0.0217	0.0767	0.412
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0469	0.1807	0.1796
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0252	0.0908	0.1001
Echinococcus multilocularis	survival motor neuron protein 1	0.0228	0.0813	0.4458
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0118	0.0118
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0469	0.1807	0.1796
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0469	0.1807	0.2005
Loa Loa (eye worm)	hypothetical protein	0.0469	0.1807	0.1807
Onchocerca volvulus	Protein ultraspiracle homolog	0.0469	0.1807	0.5677
Schistosoma mansoni	transient receptor potential channel	0.0062	0.0125	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0252	0.0908	0.0908
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0469	0.1807	0.2005
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0217	0.0767	0.0843
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0469	0.1807	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.2201	0.8961	1
Echinococcus multilocularis	transient receptor potential ion channel A	0.0091	0.0243	0.1284
Schistosoma mansoni	hypothetical protein	0.0043	0.0048	0.0054
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0469	0.1807	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0217	0.0767	0.0767
Loa Loa (eye worm)	hypothetical protein	0.0217	0.0767	0.0767
Echinococcus granulosus	FTZ F1 alpha	0.0469	0.1807	0.2005
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0252	0.0908	0.4918
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0217	0.0767	0.0843
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0297	0.1097	0.1097
Schistosoma mansoni	nuclear hormone receptor	0.0469	0.1807	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0097	0.0329
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0469	0.1807	0.1807
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0469	0.1807	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0469	0.1807	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0469	0.1807	1
Loa Loa (eye worm)	hypothetical protein	0.0469	0.1807	0.1807
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0118	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0469	0.1807	0.1807
Loa Loa (eye worm)	DR-78	0.0217	0.0767	0.0767
Echinococcus multilocularis	transient receptor potential gamma protein	0.0094	0.0256	0.1356
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0469	0.1807	0.1796

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	6.3096 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	23.1093 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)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1719151

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1481913