TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 340.439 | Formula: C19H20N2O2S
H donors: 1 H acceptors: 2 LogP: 3.28 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCO/C(=C\1/C(=NC(=S)C(C1c1ccccc1)(CC=C)C#N)C)/O
InChi: 1S/C19H20N2O2S/c1-4-11-19(12-20)16(14-9-7-6-8-10-14)15(17(22)23-5-2)13(3)21-18(19)24/h4,6-10,16,22H,1,5,11H2,2-3H3/b17-15-
InChiKey: DFAJGWBDCFUYPP-ICFOKQHNSA-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
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	EYA transcriptional coactivator and phosphatase 2	Starlite/ChEMBL	No references
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
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
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	hypothetical protein	Get druggable targets OG5_129664	All targets in OG5_129664
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	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
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	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 granulosus	guanine nucleotide binding protein Gs subunit	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129664	All targets in OG5_129664
Schistosoma mansoni	eyes absent homolog	Get druggable targets OG5_129664	All targets in OG5_129664
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)	hypothetical protein	Get druggable targets OG5_129664	All targets in OG5_129664
Schistosoma japonicum	ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative	Get druggable targets OG5_129664	All targets in OG5_129664

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
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0576	0.0576
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.4881	1
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.2992	0.613
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.4881	1
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.2992	0.6546
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0576	0.0576
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0576	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0576	0.0576
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0576	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0576	0.0576
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.2992	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0576	0.0576
Schistosoma mansoni	ATPase	0.001	0.0376	0.0376
Brugia malayi	Probable cation-transporting ATPase C10C6.6 in chromosome IV	0.001	0.0376	0.0376
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.005	0.4372	1
Echinococcus multilocularis	phosphoserine phosphatase	0.001	0.0376	0.077
Plasmodium falciparum	copper-transporting ATPase	0.001	0.0376	0.5
Treponema pallidum	hypothetical protein	0.001	0.0376	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.4881	0.4881
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0576	0.0576
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.2992	0.6546
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0576	0.0576
Echinococcus granulosus	cation transporting ATPase 13A3	0.001	0.0376	0.077
Brugia malayi	Na,K-ATPase alpha subunit	0.001	0.0376	0.0376
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0576	0.118
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0576	0.0576
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0576	0.0576
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0576	0.0576
Loa Loa (eye worm)	Na,K-ATPase alpha subunit	0.001	0.0376	0.0376
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0576	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0576	0.0576
Echinococcus multilocularis	phosphoserine phosphatase	0.001	0.0376	0.077
Echinococcus multilocularis	phosphoserine phosphatase	0.001	0.0376	0.077
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0576	0.0576
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0576	0.0576
Plasmodium falciparum	non-SERCA-type Ca2+ -transporting P-ATPase	0.001	0.0376	0.5
Plasmodium vivax	calcium-transporting ATPase, putative	0.001	0.0376	0.5
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0576	0.118
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0576	0.118
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0576	0.0576
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.2992	0.6546
Echinococcus multilocularis	phosphoserine phosphatase	0.001	0.0376	0.077
Brugia malayi	hypothetical protein	0.001	0.0376	0.0376
Loa Loa (eye worm)	inositol-1	0.0036	0.2992	0.2992
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0576	0.0576
Loa Loa (eye worm)	hypothetical protein	0.0106	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0576	0.118
Echinococcus granulosus	calcium transporting ATPase type 2C member	0.001	0.0376	0.077
Chlamydia trachomatis	metal transport ATPase	0.001	0.0376	0.5
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.2992	0.6546
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0576	0.0576
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0576	0.118
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.4881	0.4881
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.4372	0.4372
Schistosoma mansoni	cation-transporting ATPase	0.001	0.0376	0.0376
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.4372	1
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0576	0.0576
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0576	0.0576
Echinococcus multilocularis	phosphoserine phosphatase	0.001	0.0376	0.077
Echinococcus multilocularis	Tetracycline resistance leader peptide, TetL	0.001	0.0376	0.077
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0576	0.118
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.2992	1
Echinococcus multilocularis	sarco:endoplasmic reticulum calcium ATPase	0.001	0.0376	0.077
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0576	0.0576
Echinococcus granulosus	mitogen activated protein kinase 3	0.005	0.4372	0.8959
Loa Loa (eye worm)	hypothetical protein	0.001	0.0376	0.0376
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0033	0.2611	1
Schistosoma mansoni	phosphoserine phosphatase	0.001	0.0376	0.0376
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.2992	0.613
Brugia malayi	nuclear hormone receptor	0.0012	0.0576	0.0576
Loa Loa (eye worm)	E1-E2 ATPase	0.001	0.0376	0.0376
Echinococcus multilocularis	mitogen activated protein kinase 3	0.005	0.4372	0.8959
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.4372	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0576	0.118
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0576	0.118
Brugia malayi	Inositol-1	0.0036	0.2992	0.2992
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.4881	1
Onchocerca volvulus		0.0012	0.0576	1
Schistosoma mansoni	Na+/K+ transporting ATPase subunit alpha	0.001	0.0376	0.0376
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0576	0.0576
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0576	0.0576
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0576	0.118
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.4372	1
Treponema pallidum	cation-transporting ATPase, P-type	0.001	0.0376	0.5
Echinococcus multilocularis	phosphoserine phosphatase	0.001	0.0376	0.077
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.4372	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0576	0.0576
Plasmodium vivax	P-type ATPase4, putative	0.001	0.0376	0.5
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.2992	0.6546
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0576	0.118
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0576	0.118
Echinococcus granulosus	plasma membrane calcium transporting ATPase 2	0.001	0.0376	0.077
Brugia malayi	MAP kinase sur-1	0.005	0.4372	0.4372
Schistosoma mansoni	atpase class VI type 11c	0.001	0.0376	0.0376
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0576	0.0576
Echinococcus multilocularis	phospholipid transporting ATPase VA	0.001	0.0376	0.077
Brugia malayi	E1-E2 ATPase family protein	0.001	0.0376	0.0376
Brugia malayi	haloacid dehalogenase-like hydrolase family protein	0.001	0.0376	0.0376
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0576	0.118
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0576	0.0576
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0576	0.0576
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0576	0.0576
Loa Loa (eye worm)	sodium/potassium-transporting ATPase subunit alpha	0.001	0.0376	0.0376
Loa Loa (eye worm)	hypothetical protein	0.001	0.0376	0.0376
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0576	0.0576
Schistosoma mansoni	copper ABC transporter ATPase	0.001	0.0376	0.0376
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.2992	0.6546
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.005	0.4372	1
Schistosoma mansoni	cation-transporting atpase 13a1 (G-box binding protein)	0.001	0.0376	0.0376
Echinococcus granulosus	sarco:endoplasmic reticulum calcium ATPase	0.001	0.0376	0.077
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0576	0.0576
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0576	0.0576
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.005	0.4372	0.4372
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0576	0.118
Brugia malayi	ecdysteroid receptor	0.0012	0.0576	0.0576
Schistosoma mansoni	eyes absent homolog	0.0106	1	1
Schistosoma mansoni	inositol monophosphatase	0.0036	0.2992	0.2992
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.005	0.4372	1
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0576	0.0576
Brugia malayi	E1-E2 ATPase family protein	0.001	0.0376	0.0376
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0576	0.0576
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.2992	0.6546
Schistosoma mansoni	coup transcription factor	0.0012	0.0576	0.0576
Echinococcus multilocularis	copper transporting ATPase 1	0.001	0.0376	0.077
Schistosoma mansoni	cation-transporting atpase worm	0.001	0.0376	0.0376
Echinococcus granulosus	mitogen activated protein kinase	0.005	0.4372	0.8959
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0576	0.0576
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0033	0.2611	1
Echinococcus multilocularis	cation transporting atpase worm	0.001	0.0376	0.077
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0576	0.0576
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.4881	0.4881
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0576	0.118
Echinococcus multilocularis	mitogen activated protein kinase	0.005	0.4372	0.8959
Echinococcus granulosus	cation transporting atpase worm	0.001	0.0376	0.077
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.4372	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.4881	0.4881
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.005	0.4372	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.0576	1
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0576	0.0576
Echinococcus granulosus	copper transporting ATPase 1	0.001	0.0376	0.077
Schistosoma mansoni	type V p-type atpase isoform	0.001	0.0376	0.0376
Echinococcus granulosus	phospholipid transporting ATPase VA	0.001	0.0376	0.077
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.005	0.4372	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0576	0.0576
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0576	0.118
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0576	0.0576
Loa Loa (eye worm)	hypothetical protein	0.001	0.0376	0.0376
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.0576	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0576	0.0576
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0576	0.0576
Echinococcus multilocularis	calcium transporting ATPase type 2C member	0.001	0.0376	0.077
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0576	0.118
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0576	0.0576
Echinococcus multilocularis	cation transporting ATPase 13A1	0.001	0.0376	0.077
Echinococcus multilocularis	phospholipid transporting ATPase IIB	0.001	0.0376	0.077
Echinococcus multilocularis	cation transporting ATPase 13A3	0.001	0.0376	0.077
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.005	0.4372	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0576	0.0576
Schistosoma mansoni	ATPase	0.001	0.0376	0.0376
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.4881	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.2992	0.5
Trypanosoma brucei	protein kinase, putative	0.005	0.4372	1
Brugia malayi	potential phospholipid-transporting ATPase IIB, putative	0.001	0.0376	0.0376
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.4881	0.4881
Schistosoma mansoni	inositol monophosphatase	0.0036	0.2992	0.2992
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.4372	1
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.0576	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0576	0.0576
Brugia malayi	steroid hormone receptor	0.0012	0.0576	0.0576
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0576	0.0576
Plasmodium vivax	cation transporting ATPase, putative	0.001	0.0376	0.5
Loa Loa (eye worm)	hypothetical protein	0.0106	1	1
Loa Loa (eye worm)	calcium ATPase	0.001	0.0376	0.0376
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0576	0.118
Brugia malayi	Sodium/potassium-transporting ATPase alpha chain, putative	0.001	0.0376	0.0376
Echinococcus granulosus	phospholipid transporting ATPase IIB	0.001	0.0376	0.077
Plasmodium vivax	copper-transporting ATPase, putative	0.001	0.0376	0.5
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0576	0.118
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.2992	0.6546
Loa Loa (eye worm)	hypothetical protein	0.001	0.0376	0.0376
Loa Loa (eye worm)	hypothetical protein	0.001	0.0376	0.0376
Giardia lamblia	Kinase, CMGC MAPK	0.005	0.4372	1
Schistosoma mansoni	cation-transporting atpase worm	0.001	0.0376	0.0376
Echinococcus granulosus	cation transporting ATPase 13A1	0.001	0.0376	0.077

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.8275 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	1.4716 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)	= 10 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 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)	19.9526 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939]	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)	58.4789 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 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)	89.1251 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

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: CHEMBL2000472

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1633471