TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 399.256 | Formula: C20H16BrFN2O
H donors: 0 H acceptors: 1 LogP: 6.04 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc(c1)Cc1c(nc2n1c(C)c(c(c2)C)Br)c1ccco1
InChi: 1S/C20H16BrFN2O/c1-12-9-18-23-20(17-7-4-8-25-17)16(24(18)13(2)19(12)21)11-14-5-3-6-15(22)10-14/h3-10H,11H2,1-2H3
InChiKey: MGMFJQCNHZOCDZ-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	polo-like kinase 1	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	phosphatidylinositol-5-phosphate 4-kinase, type II, alpha	Starlite/ChEMBL	No references
Human immunodeficiency virus 1	Aberrant vpr protein	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	EYA transcriptional coactivator and phosphatase 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Echinococcus multilocularis	phosphatidylinositol 5 phosphate 4 kinase type 2	Get druggable targets OG5_131617	All targets in OG5_131617
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129664	All targets in OG5_129664
Loa Loa (eye worm)	pip kinase 2	Get druggable targets OG5_131617	All targets in OG5_131617
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Onchocerca volvulus		Get druggable targets OG5_131617	All targets in OG5_131617
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Giardia lamblia	Kinase, PLK	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Schistosoma japonicum	ko:K00889 1-phosphatidylinositol-4-phosphate 5-kinase [EC2.7.1.68], putative	Get druggable targets OG5_131617	All targets in OG5_131617
Trypanosoma congolense	protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Onchocerca volvulus	Serine\/threonine kinase homolog	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129664	All targets in OG5_129664
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Leishmania braziliensis	protein kinase, putative,polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	phosphatidylinositol 5 phosphate 4 kinase type 2	Get druggable targets OG5_131617	All targets in OG5_131617
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Leishmania infantum	protein kinase, putative,polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	Get druggable targets OG5_131617	All targets in OG5_131617
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	serine:threonine protein kinase PLK1	Get druggable targets OG5_127396	All targets in OG5_127396
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Leishmania mexicana	protein kinase, putative,polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Loa Loa (eye worm)	PLK/PLK1 protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	Get druggable targets OG5_131617	All targets in OG5_131617
Brugia malayi	serine/threonine-protein kinase plk-2	Get druggable targets OG5_127396	All targets in OG5_127396
Schistosoma japonicum	ko:K06631 polo-like kinase 1, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma japonicum	Serine/threonine-protein kinase PLK1, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative	Get druggable targets OG5_129664	All targets in OG5_129664
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Trypanosoma brucei	polo-like protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trypanosoma brucei gambiense	polo-like protein kinase,protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	hypothetical protein	Get druggable targets OG5_129664	All targets in OG5_129664
Trypanosoma cruzi	polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Candida albicans	protein serine/threonine kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Brugia malayi	Pip kinase protein 2	Get druggable targets OG5_131617	All targets in OG5_131617
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Schistosoma mansoni	eyes absent homolog	Get druggable targets OG5_129664	All targets in OG5_129664
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131617	All targets in OG5_131617
Entamoeba histolytica	serine/threonine protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Trypanosoma cruzi	polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Echinococcus multilocularis	serine:threonine protein kinase PLK1	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Candida albicans	protein serine/threonine kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	phosphatidylinositol phosphate kinase alpha	phosphatidylinositol-5-phosphate 4-kinase, type II, alpha	406 aa	341 aa	32.0 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0052	0.0052
Schistosoma mansoni	serine/threonine protein kinase	0.0114	0.0488	0.0593
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.0488	0.0364
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.0488	0.0364
Brugia malayi	MH2 domain containing protein	0.0144	0.0643	0.0751
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.0027	0.002
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.1588	0.8063	0.8063
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0114	0.0488	0.0464
Mycobacterium ulcerans	carbonic anhydrase	0.1639	0.8327	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0114	0.0488	0.0488
Echinococcus multilocularis	carbonic anhydrase	0.0685	0.3421	0.4236
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0685	0.3421	0.4215
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.098	0.4938	0.9089
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.1052	0.5312	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0114	0.0488	0.0593
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0196	0.0911	0.1118
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0842	0.4229	0.7358
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.0488	0.0364
Leishmania major	carbonic anhydrase family protein, putative	0.1566	0.7954	0.9856
Onchocerca volvulus		0.0221	0.1038	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0685	0.3421	0.4215
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0065	0.0234	0.0277
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0114	0.0488	0.0593
Schistosoma mansoni	lamin	0.0029	0.0052	0.0051
Echinococcus granulosus	lamin	0.0029	0.0052	0.0051
Schistosoma mansoni	carbonic anhydrase-related	0.0685	0.3421	0.4236
Brugia malayi	TAR-binding protein	0.0076	0.0295	0.0317
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0125	0.0142
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0052	0.0014
Echinococcus multilocularis	carbonic anhydrase	0.0685	0.3421	0.4236
Trypanosoma cruzi	polo-like protein kinase, putative	0.0114	0.0488	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0449	0.0449
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0052	0.0052
Schistosoma mansoni	hypothetical protein	0.0022	0.0017	0.0007
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0052	0.0051
Brugia malayi	hypothetical protein	0.0043	0.0125	0.0106
Echinococcus granulosus	carbonic anhydrase II	0.1588	0.8063	1
Mycobacterium ulcerans	carbonic anhydrase	0.1566	0.7954	0.9547
Trichomonas vaginalis	conserved hypothetical protein	0.1639	0.8327	1
Echinococcus multilocularis	carbonic anhydrase II	0.1588	0.8063	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.1588	0.8063	1
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.0488	0.0364
Echinococcus multilocularis	lamin	0.0029	0.0052	0.0051
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.0488	0.0364
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0295	0.0295
Schistosoma mansoni	carbonic anhydrase	0.0685	0.3421	0.4236
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0685	0.3421	0.4215
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0685	0.3421	0.3421
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0295	0.0353
Trichomonas vaginalis	conserved hypothetical protein	0.1639	0.8327	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0685	0.3421	0.4215
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1588	0.8063	1
Onchocerca volvulus	Putative sulfate transporter	0.0221	0.1038	1
Schistosoma mansoni	hypothetical protein	0.0685	0.3421	0.4236
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0295	0.0353
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.0488	0.0364
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0125	0.0142
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.1588	0.8063	1
Schistosoma mansoni	carbonic anhydrase-related	0.0685	0.3421	0.4236
Schistosoma mansoni	carbonic anhydrase	0.1566	0.7954	0.9864
Entamoeba histolytica	carbonic anhydrase, putative	0.1566	0.7954	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0295	0.0353
Schistosoma mansoni	eyes absent homolog	0.0106	0.0449	0.0544
Echinococcus multilocularis	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0196	0.0911	0.1118
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0049	0.0049
Echinococcus multilocularis	lamin dm0	0.0029	0.0052	0.0051
Brugia malayi	Pip kinase protein 2	0.0196	0.0911	0.1085
Echinococcus granulosus	carbonic anhydrase	0.0685	0.3421	0.4236
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0295	0.0295
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0027	0.002
Loa Loa (eye worm)	carbonic anhydrase 3	0.1588	0.8063	0.8063
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0685	0.3421	0.4215
Schistosoma mansoni	bromodomain containing protein	0.0068	0.0254	0.0302
Echinococcus multilocularis	musashi	0.0029	0.0052	0.0051
Brugia malayi	RNA binding protein	0.0076	0.0295	0.0317
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0039	0.0102	0.0113
Toxoplasma gondii	hypothetical protein	0.0685	0.3421	1
Brugia malayi	intermediate filament protein	0.0029	0.0052	0.0014
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0295	0.0295
Echinococcus granulosus	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0196	0.0911	0.1118
Brugia malayi	hypothetical protein	0.0106	0.0449	0.0509
Plasmodium falciparum	carbonic anhydrase	0.0685	0.3421	1
Echinococcus granulosus	intermediate filament protein	0.0029	0.0052	0.0051
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0125	0.0142
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.1588	0.8063	1
Loa Loa (eye worm)	PHD-finger family protein	0.0022	0.0017	0.0017
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0052	0.0052
Trypanosoma brucei	polo-like protein kinase	0.0114	0.0488	0.0508
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0643	0.0643
Chlamydia trachomatis	sulfate transporter	0.0035	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0295	0.0295
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0295	0.0353
Trypanosoma brucei	carbonic anhydrase-like protein	0.1588	0.8063	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0295	0.0353
Giardia lamblia	Kinase, PLK	0.0114	0.0488	0.5
Plasmodium vivax	sulfate transporter, putative	0.0035	0.0083	0.5
Echinococcus granulosus	carbonic anhydrase	0.0685	0.3421	0.4236
Schistosoma mansoni	carbonic anhydrase-related	0.0685	0.3421	0.4236
Leishmania major	carbonic anhydrase-like protein	0.1588	0.8063	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0065	0.0234	0.0277
Schistosoma mansoni	kinase	0.0058	0.02	0.0235
Schistosoma mansoni	lamin	0.0029	0.0052	0.0051
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.1588	0.8063	1
Echinococcus granulosus	lamin dm0	0.0029	0.0052	0.0051
Loa Loa (eye worm)	pip kinase 2	0.0196	0.0911	0.0911
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0039	0.0102	0.0113
Echinococcus granulosus	carbonic anhydrase	0.0685	0.3421	0.4236
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0643	0.0643
Brugia malayi	serine/threonine-protein kinase plk-2	0.0114	0.0488	0.0558
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0114	0.0488	0.4427
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0027	0.002
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0115	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0449	0.0449
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0295	0.0353
Echinococcus multilocularis	carbonic anhydrase	0.0685	0.3421	0.4236
Brugia malayi	Bromodomain containing protein	0.0081	0.0319	0.0347
Schistosoma mansoni	hypothetical protein	0.0043	0.0125	0.0142
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0295	0.0353
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.0488	0.0364
Loa Loa (eye worm)	hypothetical protein	0.0685	0.3421	0.3421
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0295	0.0317
Loa Loa (eye worm)	hypothetical protein	0.0685	0.3421	0.3421
Brugia malayi	Bromodomain containing protein	0.0041	0.0115	0.0093
Onchocerca volvulus		0.0196	0.0911	0.8714
Loa Loa (eye worm)	hypothetical protein	0.0196	0.0911	0.0911
Trypanosoma cruzi	polo-like protein kinase, putative	0.0114	0.0488	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0139	0.0139
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.1566	0.7954	1
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.1588	0.8063	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0128	0.0128
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0196	0.0911	0.1118

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.1623 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	6.3096 uM	PubChem BioAssay. qHTS for Inhibitors of PI5P4K: Confirmation in Primary Assay. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	16.9469 uM	PubChem BioAssay. qHTS for Inhibitors of the Phosphatase Activity of Eya2: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.8876 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	20.5962 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)	22.3872 uM	PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	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)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (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: CHEMBL1888875

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1587770