TDR Targets

Basic information

Technical information

TDR Targets ID: 1403521
Name: 3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-m ethyl-1,2-oxazol-3-yl)-5-[3-(phenoxy)phenyl]- 5H-pyrrol-2-one
MW: 456.447 | Formula: C26H20N2O6
H donors: 1 H acceptors: 4 LogP: 5.06 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1onc(c1)N1C(=O)C(=C(C1c1cccc(c1)Oc1ccccc1)C(=O)c1ccc(o1)C)O
InChi: 1S/C26H20N2O6/c1-15-11-12-20(32-15)24(29)22-23(28(26(31)25(22)30)21-13-16(2)34-27-21)17-7-6-10-19(14-17)33-18-8-4-3-5-9-18/h3-14,23,30H,1-2H3
InChiKey: XZOFKDHJBMIYSW-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

3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-5-[3-(phenoxy)phenyl]-5H-pyrrol-2-one
3-hydroxy-4-[(5-methyl-2-furyl)-oxomethyl]-1-(5-methyl-3-isoxazolyl)-5-[3-(phenoxy)phenyl]-5H-pyrrol-2-one
3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-5-[3-(phenoxy)phenyl]-3-pyrrolin-2-one
3-hydroxy-4-(5-methylfuran-2-yl)carbonyl-1-(5-methyl-1,2-oxazol-3-yl)-5-[3-(phenoxy)phenyl]-5H-pyrrol-2-one
STOCK4S-30170

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	relaxin/insulin-like family peptide receptor 1	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Hepatitis C virus	NS3	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	DEAH box polypeptide 35	Get druggable targets OG5_130943	All targets in OG5_130943
Brugia malayi	Probable ATP-dependent helicase DHX35	Get druggable targets OG5_130943	All targets in OG5_130943
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130943	All targets in OG5_130943

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	tubulin/FtsZ family, GTPase domain-containing protein	0.061	0.2006	0.1857
Loa Loa (eye worm)	tubulin alpha-2 chain	0.1922	0.7173	0.712
Leishmania major	alpha tubulin	0.1922	0.7173	0.712
Loa Loa (eye worm)	tubulin beta chain	0.061	0.2006	0.1857
Leishmania major	gamma-tubulin	0.1405	0.5136	0.5045
Trichomonas vaginalis	tubulin, putative	0.0795	0.2734	0.0911
Mycobacterium leprae	cell division protein FtsZ	0.061	0.2006	0.5
Echinococcus granulosus	tubulin alpha chain	0.1922	0.7173	0.712
Echinococcus multilocularis	hypothetical protein	0.1922	0.7173	0.712
Leishmania major	alpha tubulin	0.1922	0.7173	0.712
Trypanosoma brucei	zeta tubulin, putative	0.061	0.2006	0.1857
Echinococcus multilocularis	tubulin alpha 1C chain	0.1922	0.7173	0.712
Trichomonas vaginalis	tubulin beta chain, putative	0.1922	0.7173	0.6464
Echinococcus granulosus	Tubulin alpha 1 chain	0.1922	0.7173	0.712
Trypanosoma cruzi	PAB1-binding protein , putative	0.0155	0.0217	0.0034
Trypanosoma brucei	PAB1-binding protein , putative	0.0155	0.0217	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0155	0.0217	0.0034
Echinococcus multilocularis	tubulin delta chain	0.061	0.2006	0.1857
Mycobacterium ulcerans	cell division protein FtsZ	0.061	0.2006	0.5
Echinococcus granulosus	tubulin alpha 1C chain	0.1922	0.7173	0.712
Trypanosoma cruzi	tubulin delta chain	0.061	0.2006	0.1857
Leishmania major	alpha tubulin	0.1922	0.7173	0.712
Leishmania major	alpha tubulin	0.1922	0.7173	0.712
Echinococcus multilocularis	Tubulin alpha 1 chain	0.1922	0.7173	0.712
Schistosoma mansoni	transcription factor LCR-F1	0.0261	0.0631	0.0456
Leishmania major	alpha tubulin	0.1922	0.7173	0.712
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.1127	0.4044	0.2549
Schistosoma mansoni	tubulin subunit alpha	0.1922	0.7173	0.712
Echinococcus multilocularis	tubulin alpha 3 chain	0.1922	0.7173	0.712
Plasmodium falciparum	ataxin-2 like protein, putative	0.0155	0.0217	0.0034
Trypanosoma cruzi	alpha tubulin, putative	0.1922	0.7173	0.712
Brugia malayi	Pax transcription factor protein 2	0.0734	0.2496	0.2496
Trichomonas vaginalis	tubulin beta chain, putative	0.1922	0.7173	0.6464
Brugia malayi	Tubulin gamma chain	0.1405	0.5136	0.5136
Brugia malayi	Cell division protein ftsZ	0.061	0.2006	0.2006
Giardia lamblia	Alpha-tubulin	0.1922	0.7173	0.6464
Giardia lamblia	Gamma tubulin	0.1405	0.5136	0.3915
Brugia malayi	tubulin alpha chain - mouse	0.1922	0.7173	0.7173
Trypanosoma brucei	tubulin delta chain	0.061	0.2006	0.1857
Trypanosoma brucei	alpha tubulin	0.1922	0.7173	0.712
Trypanosoma brucei	beta tubulin	0.1405	0.5136	0.5045
Loa Loa (eye worm)	hypothetical protein	0.1127	0.4044	0.3932
Echinococcus granulosus	tubulin alpha chain	0.1922	0.7173	0.712
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.1312	0.4772	0.4674
Trichomonas vaginalis	tubulin epsilon chain, putative	0.1922	0.7173	0.6464
Trypanosoma brucei	alpha tubulin	0.1922	0.7173	0.712
Echinococcus multilocularis	tubulin alpha chain	0.1922	0.7173	0.712
Trypanosoma brucei	alpha tubulin, putative	0.0795	0.2734	0.2599
Loa Loa (eye worm)	tubulin gamma chain	0.1405	0.5136	0.5045
Loa Loa (eye worm)	DEAH box polypeptide 35	0.0196	0.0377	0.0197
Trichomonas vaginalis	tubulin beta chain, putative	0.1922	0.7173	0.6464
Leishmania major	alpha tubulin	0.1922	0.7173	0.712
Echinococcus multilocularis	tubulin gamma 1 chain	0.1405	0.5136	0.5045
Schistosoma mansoni	alpha tubulin	0.1922	0.7173	0.712
Leishmania major	hypothetical protein, conserved	0.0155	0.0217	0.0034
Brugia malayi	Tubulin beta chain	0.0795	0.2734	0.2734
Schistosoma mansoni	tubulin subunit gamma	0.1405	0.5136	0.5045
Trichomonas vaginalis	tubulin, putative	0.0795	0.2734	0.0911
Entamoeba histolytica	tubulin gamma chain	0.1405	0.5136	0.4808
Echinococcus multilocularis	Tubulin alpha 1 chain	0.1922	0.7173	0.712
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.1405	0.5136	0.5045
Echinococcus granulosus	tubulin gamma 1 chain	0.1405	0.5136	0.5045
Toxoplasma gondii	LsmAD domain-containing protein	0.0155	0.0217	0.0034
Echinococcus multilocularis	tubulin alpha chain	0.1922	0.7173	0.712
Loa Loa (eye worm)	tubulin alpha 2	0.1312	0.4772	0.4674
Echinococcus multilocularis	peroxisome assembly protein 26	0.1922	0.7173	0.712
Trypanosoma cruzi	zeta tubulin, putative	0.061	0.2006	0.1857
Onchocerca volvulus		0.0734	0.2496	0.9046
Echinococcus granulosus	tubulin alpha 1C chain	0.1922	0.7173	0.712
Schistosoma mansoni	tubulin subunit beta	0.061	0.2006	0.1857
Schistosoma mansoni	hypothetical protein	0.1575	0.5808	0.573
Trichomonas vaginalis	tubulin alpha chain, putative	0.0795	0.2734	0.0911
Plasmodium falciparum	tubulin epsilon chain, putative	0.1405	0.5136	0.5045
Echinococcus granulosus	tubulin alpha chain	0.1922	0.7173	0.712
Echinococcus multilocularis	tubulin alpha chain	0.1922	0.7173	0.712
Trichomonas vaginalis	tubulin beta chain, putative	0.1922	0.7173	0.6464
Giardia lamblia	Alpha-tubulin	0.1922	0.7173	0.6464
Echinococcus granulosus	tubulin subunit TubB	0.1922	0.7173	0.712
Leishmania major	alpha tubulin	0.1922	0.7173	0.712
Trypanosoma cruzi	zeta tubulin, putative	0.061	0.2006	0.1857
Loa Loa (eye worm)	hypothetical protein	0.1312	0.4772	0.4674
Trichomonas vaginalis	tubulin alpha chain, putative	0.1405	0.5136	0.3915
Leishmania major	alpha tubulin	0.1922	0.7173	0.712
Schistosoma mansoni	alpha tubulin	0.1922	0.7173	0.712
Trichomonas vaginalis	tubulin beta chain, putative	0.0795	0.2734	0.0911
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0261	0.0631	0.0456
Brugia malayi	Tubulin alpha-2 chain	0.1922	0.7173	0.7173
Plasmodium falciparum	alpha tubulin 2	0.1922	0.7173	0.712
Loa Loa (eye worm)	hypothetical protein	0.0196	0.0377	0.0197
Trichomonas vaginalis	tubulin beta chain, putative	0.1922	0.7173	0.6464
Plasmodium vivax	tubulin alpha chain, putative	0.1922	0.7173	0.712
Trypanosoma brucei	epsilon tubulin	0.1405	0.5136	0.5045
Echinococcus granulosus	alpha tubulin	0.1922	0.7173	0.712
Echinococcus granulosus	tubulin epsilon chain	0.1405	0.5136	0.5045
Trypanosoma brucei	zeta tubulin	0.061	0.2006	0.1857
Echinococcus multilocularis	tubulin alpha 3 chain	0.1922	0.7173	0.712
Schistosoma mansoni	tubulin subunit alpha	0.061	0.2006	0.1857
Brugia malayi	Isocitrate dehydrogenase	0.0147	0.0183	0.0183
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.1922	0.7173	0.6464
Leishmania major	alpha tubulin	0.1922	0.7173	0.712
Leishmania major	zeta tubulin, putative	0.061	0.2006	0.1857
Loa Loa (eye worm)	tubulin alpha-3 chain	0.1127	0.4044	0.3932
Plasmodium vivax	ataxin-2 like protein, putative	0.0155	0.0217	0.0034
Echinococcus multilocularis	tubulin subunit TubB	0.1922	0.7173	0.712
Leishmania major	alpha tubulin	0.1922	0.7173	0.712
Trypanosoma cruzi	epsilon tubulin, putative	0.1405	0.5136	0.5045
Plasmodium vivax	tubulin epsilon chain, putative	0.1405	0.5136	0.5045
Trypanosoma cruzi	PAB1-binding protein , putative	0.0155	0.0217	0.0034
Leishmania major	alpha tubulin	0.1922	0.7173	0.712
Toxoplasma gondii	alpha-tubulin I, putative	0.1922	0.7173	0.712
Echinococcus granulosus	peroxisome assembly protein 26	0.1922	0.7173	0.712
Toxoplasma gondii	alpha tubulin TUBA1	0.1922	0.7173	0.712
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0229	0.0046
Echinococcus granulosus	tubulin delta chain	0.061	0.2006	0.1857
Loa Loa (eye worm)	hypothetical protein	0.1922	0.7173	0.712
Brugia malayi	Tubulin alpha-2 chain	0.1922	0.7173	0.7173
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0795	0.2734	0.0911
Leishmania major	delta tubulin, putative	0.061	0.2006	0.1857
Brugia malayi	alpha-tubulin	0.1922	0.7173	0.7173
Trypanosoma cruzi	tubulin gamma chain	0.1405	0.5136	0.5045
Brugia malayi	tubulin alpha-2 chain	0.1922	0.7173	0.7173
Plasmodium vivax	tubulin gamma chain, putative	0.1405	0.5136	0.5045
Echinococcus multilocularis	tubulin alpha 1C chain	0.1922	0.7173	0.712
Echinococcus multilocularis	tubulin alpha chain	0.1922	0.7173	0.712
Schistosoma mansoni	tubulin subunit delta	0.061	0.2006	0.1857
Plasmodium falciparum	alpha tubulin 1	0.1922	0.7173	0.712
Trichomonas vaginalis	tubulin alpha chain, putative	0.0795	0.2734	0.0911
Mycobacterium tuberculosis	Cell division protein FtsZ	0.061	0.2006	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0155	0.0217	0.0034
Trichomonas vaginalis	tubulin gamma chain, putative	0.1405	0.5136	0.3915
Trichomonas vaginalis	tubulin beta chain, putative	0.1922	0.7173	0.6464
Treponema pallidum	cell division protein FtsZ	0.061	0.2006	0.5
Brugia malayi	hypothetical protein	0.0158	0.0229	0.0229
Loa Loa (eye worm)	tubulin alpha 2	0.0517	0.1642	0.1486
Trypanosoma brucei	epsilon tubulin	0.1405	0.5136	0.5045
Brugia malayi	hypothetical protein	0.0261	0.0631	0.0631
Echinococcus granulosus	Tubulin alpha 1 chain	0.1922	0.7173	0.712
Schistosoma mansoni	tubulin subunit epsilon	0.1405	0.5136	0.5045
Loa Loa (eye worm)	tubulin alpha 2	0.1312	0.4772	0.4674
Loa Loa (eye worm)	tubulin alpha chain	0.1922	0.7173	0.712
Trypanosoma brucei	alpha tubulin	0.1922	0.7173	0.712
Trichomonas vaginalis	tubulin epsilon chain, putative	0.1922	0.7173	0.6464
Entamoeba histolytica	tubulin alpha chain, putative	0.1922	0.7173	0.6983
Schistosoma mansoni	hypothetical protein	0.1575	0.5808	0.573
Trypanosoma cruzi	tubulin delta chain	0.061	0.2006	0.1857
Trypanosoma brucei	alpha tubulin	0.1922	0.7173	0.712
Brugia malayi	isocitrate dehydrogenase	0.0147	0.0183	0.0183
Loa Loa (eye worm)	transcription factor SMAD2	0.0853	0.2963	0.2831
Echinococcus granulosus	tubulin alpha chain	0.1922	0.7173	0.712
Echinococcus granulosus	Tubulin alpha 1 chain	0.1922	0.7173	0.712
Echinococcus granulosus	geminin	0.1575	0.5808	0.573
Echinococcus multilocularis	tubulin alpha chain	0.1922	0.7173	0.712
Plasmodium vivax	tubulin alpha chain, putative	0.1922	0.7173	0.712
Plasmodium falciparum	tubulin gamma chain	0.1405	0.5136	0.5045
Plasmodium vivax	delta tubulin, putative	0.061	0.2006	0.1857
Loa Loa (eye worm)	alpha-tubulin	0.1922	0.7173	0.712
Loa Loa (eye worm)	MH2 domain-containing protein	0.0853	0.2963	0.2831
Schistosoma mansoni	hypothetical protein	0.0261	0.0631	0.0456
Brugia malayi	Tubulin alpha chain	0.1922	0.7173	0.7173
Echinococcus granulosus	tubulin alpha	0.1405	0.5136	0.5045
Trypanosoma brucei	tubulin gamma chain	0.1405	0.5136	0.5045
Trypanosoma cruzi	epsilon tubulin, putative	0.1405	0.5136	0.5045
Loa Loa (eye worm)	tubulin alpha chain	0.1922	0.7173	0.712
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.1312	0.4772	0.3459
Echinococcus granulosus	tubulin alpha 3 chain	0.1922	0.7173	0.712
Onchocerca volvulus		0.0795	0.2734	1
Brugia malayi	MH2 domain containing protein	0.0853	0.2963	0.2963
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0261	0.0631	0.0456
Schistosoma mansoni	alpha tubulin	0.1922	0.7173	0.712
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.061	0.2006	0.1857
Echinococcus multilocularis	geminin	0.1575	0.5808	0.573
Leishmania major	epsilon tubulin, putative	0.1405	0.5136	0.5045
Echinococcus multilocularis	tubulin alpha	0.1405	0.5136	0.5045
Echinococcus granulosus	tubulin alpha 3 chain	0.1922	0.7173	0.712
Leishmania major	alpha tubulin	0.1922	0.7173	0.712
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.061	0.2006	0.5
Brugia malayi	Probable ATP-dependent helicase DHX35	0.0196	0.0377	0.0377
Trypanosoma brucei	epsilon tubulin	0.1405	0.5136	0.5045
Loa Loa (eye worm)	pax transcription factor protein 2	0.0734	0.2496	0.2355
Trichomonas vaginalis	tubulin gamma chain, putative	0.1405	0.5136	0.3915
Trichomonas vaginalis	tubulin alpha chain, putative	0.0795	0.2734	0.0911
Schistosoma mansoni	tubulin subunit alpha	0.1922	0.7173	0.712
Brugia malayi	Tubulin alpha chain	0.061	0.2006	0.2006
Loa Loa (eye worm)	alpha-tubulin	0.1922	0.7173	0.712
Plasmodium falciparum	tubulin delta chain, putative	0.061	0.2006	0.1857
Schistosoma mansoni	tubulin subunit alpha	0.1922	0.7173	0.712
Echinococcus granulosus	tubulin alpha chain	0.1922	0.7173	0.712
Echinococcus multilocularis	tubulin epsilon chain	0.1405	0.5136	0.5045
Entamoeba histolytica	tubulin alpha-1 chain	0.1922	0.7173	0.6983
Brugia malayi	hypothetical protein	0.0155	0.0217	0.0217
Brugia malayi	Tubulin beta chain	0.061	0.2006	0.2006
Echinococcus multilocularis	Tubulin alpha 1 chain	0.1922	0.7173	0.712

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.949 um	PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response assay for inhibitors of the Hepatitis C Virus non-structural protein 3 helicase (NS3). (Class of assay: confirmatory) [Related pubchem assays: 1830 (Summary AID.), 1800 (Primary screen (NS3 inhibitors).), 1943 (Confirmation screen (NS3 inhibitors).)]	ChEMBL.	No reference
IC50 (binding)	= 24.1 uM	PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immunodeficiency Virus Fusion Inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1991, AID434967]	ChEMBL.	No reference
IC50 (functional)	31.96 uM	PUBCHEM_BIOASSAY: Primary and Confirmatory Screening for Flavivirus Genomic Capping Enzyme Inhibition. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588708, AID588742]	ChEMBL.	No reference
Potency (functional)	0.5221 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)	10.4179 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)	14.581 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)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.7781 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)	25.929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	26.8545 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	28.1838 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	32.6427 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)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 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)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	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: CHEMBL1544885

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1403521