TDR Targets

Basic information

Technical information

TDR Targets ID: 156641
Name: (E)-N-[2-(5-methoxy-2-phenyl-1-benzofuran-3-y l)ethyl]but-2-enamide
MW: 335.396 | Formula: C21H21NO3
H donors: 1 H acceptors: 1 LogP: 4.36 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: C/C=C/C(=O)NCCc1c(oc2c1cc(OC)cc2)c1ccccc1
InChi: 1S/C21H21NO3/c1-3-7-20(23)22-13-12-17-18-14-16(24-2)10-11-19(18)25-21(17)15-8-5-4-6-9-15/h3-11,14H,12-13H2,1-2H3,(H,22,23)/b7-3+
InChiKey: LTFBHJRCRFWNSK-XVNBXDOJSA-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

(E)-N-[2-(5-methoxy-2-phenyl-benzofuran-3-yl)ethyl]but-2-enamide
(E)-N-[2-(5-methoxy-2-phenyl-3-benzofuranyl)ethyl]-2-butenamide
(E)-N-[2-(5-methoxy-2-phenyl-3-benzofuranyl)ethyl]but-2-enamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	melatonin receptor 1A	Starlite/ChEMBL	References
Homo sapiens	melatonin receptor 1B	Starlite/ChEMBL	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 protein	melatonin receptor 1B	362 aa	329 aa	18.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0382	0.4873	0.4866
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0028	0.0016
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.013	0.0241
Echinococcus multilocularis	carbonic anhydrase	0.0382	0.4873	0.4866
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0778	1	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.013	0.0117
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.1505	0.1494
Schistosoma mansoni	hypothetical protein	0.0035	0.0373	0.036
Echinococcus granulosus	carbonic anhydrase	0.0382	0.4873	0.4866
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0235	0.0758
Echinococcus multilocularis	Smad4	0.0008	0.0028	0.0016
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0016	0.013	0.0795
Brugia malayi	MH1 domain containing protein	0.0008	0.0028	0.0016
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0143	0.0871
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0007	0.0013	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0235	0.0223
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0028	0.0016
Schistosoma mansoni	smad	0.0008	0.0028	0.0016
Brugia malayi	MH2 domain containing protein	0.0122	0.1505	0.1494
Echinococcus multilocularis	carbonic anhydrase	0.0382	0.4873	0.4866
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0382	0.4873	0.4866
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0028	0.0016
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.013	0.0117
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0143	0.0871
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0778	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0235	0.0223
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0143	0.0871
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.013	0.0117
Echinococcus granulosus	carbonic anhydrase II	0.0778	1	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0778	1	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0044	0.0486	0.0974
Brugia malayi	MH2 domain containing protein	0.0008	0.0028	0.0016
Leishmania major	carbonic anhydrase-like protein	0.0778	1	1
Loa Loa (eye worm)	hypothetical protein	0.0382	0.4873	0.4866
Leishmania major	carbonic anhydrase family protein, putative	0.0233	0.2946	0.2937
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0235	0.0758
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0778	1	1
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0148	0.1844	0.1833
Echinococcus granulosus	smad	0.0008	0.0028	0.0016
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0582	0.057
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0235	0.0758
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.0028	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0382	0.4873	0.4866
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0044	0.0486	0.3892
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0235	0.0223
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0778	1	1
Brugia malayi	acetyltransferase, GNAT family protein	0.0148	0.1844	0.1833
Entamoeba histolytica	carbonic anhydrase, putative	0.0233	0.2946	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0235	0.0758
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0235	0.0758
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0007	0.0013	0.0078
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0398	0.0386
Loa Loa (eye worm)	acetyltransferase	0.0148	0.1844	0.1833
Echinococcus granulosus	carbonic anhydrase	0.0382	0.4873	0.4866
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0156	0.0294
Loa Loa (eye worm)	Smad1	0.0008	0.0028	0.0016
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0235	0.0758
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0143	0.0871
Mycobacterium ulcerans	carbonic anhydrase	0.0233	0.2946	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0235	0.0223
Brugia malayi	isocitrate dehydrogenase	0.0016	0.013	0.0117
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.013	0.0117
Brugia malayi	hypothetical protein	0.0037	0.0398	0.0386
Entamoeba histolytica	hypothetical protein	0.0037	0.0398	0.1313
Echinococcus granulosus	Smad4	0.0008	0.0028	0.0016
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.013	0.0117
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0044	0.0486	0.3892
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0044	0.0486	0.0474
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0582	0.057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.013	0.0117
Entamoeba histolytica	acetyltransferase, GNAT family	0.004	0.0439	0.1453
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.0028	0.0016
Schistosoma mansoni	hypothetical protein	0.0016	0.013	0.0117
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0013	0.0078
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.013	0.0117
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.013	0.0117
Echinococcus multilocularis	carbonic anhydrase II	0.0778	1	1
Giardia lamblia	Histone acetyltransferase GCN5	0.004	0.0439	0.5
Schistosoma mansoni	hypothetical protein	0.0174	0.2169	0.2159
Schistosoma mansoni	hypothetical protein	0.0382	0.4873	0.4866
Echinococcus multilocularis	geminin	0.0174	0.2169	0.2159
Plasmodium falciparum	carbonic anhydrase	0.0382	0.4873	1
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.013	0.0117
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0582	0.057
Loa Loa (eye worm)	carbonic anhydrase 3	0.0778	1	1
Echinococcus multilocularis	smad	0.0008	0.0028	0.0016
Toxoplasma gondii	hypothetical protein	0.0382	0.4873	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0144	0.179	0.1779
Plasmodium falciparum	histone acetyltransferase GCN5	0.004	0.0439	0.0877
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.013	0.0241
Echinococcus granulosus	carbonic anhydrase	0.0382	0.4873	0.4866
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0148	0.1844	0.1833
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.0028	0.0016
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0044	0.0486	0.0974
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0235	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0373	0.036
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.013	0.0117
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0235	0.0758
Schistosoma mansoni	Smad4	0.0008	0.0028	0.0016
Echinococcus granulosus	GPCR family 2	0.0016	0.013	0.0117
Entamoeba histolytica	hypothetical protein	0.0037	0.0398	0.1313
Schistosoma mansoni	hypothetical protein	0.0174	0.2169	0.2159
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.0133	0.1638	1
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0398	0.0386
Mycobacterium ulcerans	carbonic anhydrase	0.0101	0.1229	0.4146
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0235	0.0758
Schistosoma mansoni	carbonic anhydrase	0.0382	0.4873	0.4866
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.013	0.0117
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0156	0.5
Schistosoma mansoni	hypothetical protein	0.0016	0.013	0.0117
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.013	0.0117
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0013	0.0078
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0101	0.1229	0.7503
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0235	0.1436
Schistosoma mansoni	carbonic anhydrase-related	0.0382	0.4873	0.4866
Trypanosoma brucei	carbonic anhydrase-like protein	0.0778	1	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0235	0.0223
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0156	0.095
Brugia malayi	Smad1	0.0008	0.0028	0.0016
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0382	0.4873	0.4866
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0382	0.4873	0.4866
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.013	0.0117
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.1505	0.1494
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0156	0.0143
Brugia malayi	MH2 domain containing protein	0.0008	0.0028	0.0016
Entamoeba histolytica	hypothetical protein	0.0037	0.0398	0.1313
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.1229	1
Schistosoma mansoni	hypothetical protein	0.0016	0.013	0.0117
Schistosoma mansoni	hypothetical protein	0.0016	0.013	0.0117
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0156	0.0487
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0007	0.0013	0.0078
Entamoeba histolytica	hypothetical protein	0.0037	0.0398	0.1313
Schistosoma mansoni	hypothetical protein	0.0037	0.0398	0.0386
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0016	0.013	0.0117
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.013	0.0117
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0028	0.0016
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0028	0.0016
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.0233	0.2946	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0235	0.0758
Echinococcus multilocularis	GPCR, family 2	0.0016	0.013	0.0117
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0007	0.0013	0.0078
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0013	0.0078
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0582	0.057
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0398	0.0386
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0013	0.0078
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0016	0.013	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0156	0.0143
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0044	0.0486	1
Onchocerca volvulus		0.0024	0.0235	1
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0007	0.0013	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0235	0.0223
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0382	0.4873	0.4866
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0235	0.0758
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0382	0.4873	0.4866
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0235	0.0223
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0382	0.4873	0.4866
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0235	0.0758
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.013	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0156	0.0143
Schistosoma mansoni	carbonic anhydrase-related	0.0382	0.4873	0.4866
Brugia malayi	MH1 domain containing protein	0.0008	0.0028	0.0016
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0235	0.0758
Echinococcus granulosus	geminin	0.0174	0.2169	0.2159
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0007	0.0013	0.0078
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.013	0.0117
Schistosoma mansoni	carbonic anhydrase-related	0.0382	0.4873	0.4866
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0156	0.0143
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0235	0.0758
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0235	0.0223
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.1229	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0373	0.036
Echinococcus multilocularis	carbonic anhydrase	0.0382	0.4873	0.4866
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0016	0.013	0.2478
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0028	0.0016
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.013	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0156	0.0143
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.013	0.0117
Schistosoma mansoni	carbonic anhydrase	0.0233	0.2946	0.2937
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0016	0.013	0.0117
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0235	0.1436
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.013	0.0117
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0778	1	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.013	0.0117
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.0028	0.0016
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0156	0.3016
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0007	0.0013	0.0078

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.21 nM	Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as radioligand.	ChEMBL.	12061881
Ki (binding)	= 0.21 nM	Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as radioligand.	ChEMBL.	12061881
Ki (binding)	= 1.01 nM	Binding affinity on human melatonin receptor type 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioligand.	ChEMBL.	12061881
Ki (binding)	= 1.01 nM	Binding affinity on human melatonin receptor type 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioligand.	ChEMBL.	12061881
pC1 (binding)	= 2.996	Binding affinity against Melatonin receptor type 1A	ChEMBL.	15177448
pC1 (binding)	= 3.678	Binding affinity against melatonin receptor type 1B	ChEMBL.	15177448
pC1 (binding)	= 2.996	Binding affinity against Melatonin receptor type 1A	ChEMBL.	15177448
pC1 (binding)	= 3.678	Binding affinity against melatonin receptor type 1B	ChEMBL.	15177448
Ratio (binding)	= 4.8	Melatonin receptor type 1A/Melatonin receptor type 1B affinity ratio.	ChEMBL.	12061881
Ratio (binding)	= 4.8	Melatonin receptor type 1A/Melatonin receptor type 1B affinity ratio.	ChEMBL.	12061881
Selectivity (binding)	= 0.682	Selectivity of the compound (pC2-PC1) was determined	ChEMBL.	15177448
Selectivity (binding)	= 0.682	Selectivity of the compound (pC2-PC1) was determined	ChEMBL.	15177448

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: CHEMBL96104
PubChem: 11110447

Bibliographic References

2 literature references were 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 156641