TDR Targets

Basic information

Technical information

TDR Targets ID: 1342760
Name: methyl 4-(4-fluorophenyl)-1-[(3-methoxyphenyl )methyl]pyrrolo[4,5-b]pyrrole-2-carboxylate
MW: 378.396 | Formula: C22H19FN2O3
H donors: 0 H acceptors: 1 LogP: 4.34 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)Cn1c(cc2c1ccn2c1ccc(cc1)F)C(=O)OC
InChi: 1S/C22H19FN2O3/c1-27-18-5-3-4-15(12-18)14-25-19-10-11-24(17-8-6-16(23)7-9-17)20(19)13-21(25)22(26)28-2/h3-13H,14H2,1-2H3
InChiKey: NSFXVSDAPHASRT-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

4-(4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2-pyrrolo[4,5-b]pyrrolecarboxylic acid methyl ester
4-(4-fluorophenyl)-1-(3-methoxybenzyl)pyrrolo[4,5-b]pyrrole-2-carboxylic acid methyl ester
ASN 09874718
4-(4-Fluoro-phenyl)-1-(3-methoxy-benzyl)-1,4-dihydro-pyrrolo[3,2-b]pyrrole-2-carboxylic acid methyl ester
MLS000559318
SMR000173710

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Homo sapiens	ataxin 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
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
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 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
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
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
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
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
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723

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
Schistosoma mansoni	peroxidasin	0.0391	1	1
Echinococcus multilocularis	neurogenic locus protein delta	0.0126	0.2915	0.2616
Brugia malayi	EGF-like domain containing protein	0.0126	0.2915	0.2915
Brugia malayi	notch-like transmembrane receptor	0.0126	0.2915	0.2915
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1011	0.0632
Brugia malayi	Calcium binding EGF domain containing protein	0.0126	0.2915	0.2915
Loa Loa (eye worm)	hypothetical protein	0.0391	1	1
Loa Loa (eye worm)	blistered cuticle protein 3	0.0391	1	1
Echinococcus granulosus	notch	0.0126	0.2915	0.2616
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1011	0.1011
Brugia malayi	Delta serrate ligand family protein	0.0126	0.2915	0.2915
Brugia malayi	EGF-like domain containing protein	0.0126	0.2915	0.2915
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0404	0.0404
Onchocerca volvulus		0.0126	0.2915	0.2616
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0388	0.0388
Onchocerca volvulus		0.0126	0.2915	0.2616
Loa Loa (eye worm)	animal heme peroxidase	0.0391	1	1
Brugia malayi	Cadherin domain containing protein	0.0126	0.2915	0.2915
Brugia malayi	Blistered cuticle protein 3	0.0391	1	1
Onchocerca volvulus		0.0391	1	1
Onchocerca volvulus		0.0391	1	1
Schistosoma mansoni	hypothetical protein	0.0126	0.2915	0.2616
Loa Loa (eye worm)	hypothetical protein	0.0391	1	1
Loa Loa (eye worm)	hypothetical protein	0.0391	1	1
Schistosoma mansoni	hypothetical protein	0.0126	0.2915	0.2616
Echinococcus multilocularis	notch	0.0126	0.2915	0.2616
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0126	0.2915	0.2915
Schistosoma mansoni	slit	0.0126	0.2915	0.2616
Echinococcus multilocularis	slit 2 protein	0.0126	0.2915	0.2616
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1011	0.0632
Brugia malayi	EGF-like domain containing protein	0.0126	0.2915	0.2915
Loa Loa (eye worm)	hypothetical protein	0.0391	1	1
Brugia malayi	EGF-like domain containing protein	0.0126	0.2915	0.2915
Echinococcus granulosus	neurogenic locus protein delta	0.0126	0.2915	0.2616
Loa Loa (eye worm)	hypothetical protein	0.0391	1	1
Echinococcus granulosus	slit 2 protein	0.0126	0.2915	0.2616
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1011	0.0632
Echinococcus granulosus	neurogenic locus notch protein 4	0.0126	0.2915	0.2616
Loa Loa (eye worm)	hypothetical protein	0.0391	1	1
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Schistosoma mansoni	notch	0.0126	0.2915	0.2616
Loa Loa (eye worm)	hypothetical protein	0.003	0.0348	0.0348
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1011	0.1011
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Onchocerca volvulus	Dual oxidase homolog	0.0391	1	1
Echinococcus multilocularis	protein jagged 2	0.0126	0.2915	0.2616
Schistosoma mansoni	cell polarity protein	0.0126	0.2915	0.2616
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0348	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0391	1	1
Loa Loa (eye worm)	hypothetical protein	0.0391	1	1
Echinococcus granulosus	protein jagged 2	0.0126	0.2915	0.2616
Loa Loa (eye worm)	animal heme peroxidase	0.0391	1	1
Onchocerca volvulus	Putative cubilin	0.0126	0.2915	0.2616
Schistosoma mansoni	septate junction protein	0.0126	0.2915	0.2616
Echinococcus granulosus	neurogenic locus notch protein	0.0126	0.2915	0.2616
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Echinococcus granulosus	protein jagged 1	0.0126	0.2915	0.2616
Schistosoma mansoni	hypothetical protein	0.0126	0.2915	0.2616
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Schistosoma mansoni	laminin gamma-3 chain	0.0126	0.2915	0.2616
Brugia malayi	Animal haem peroxidase family protein	0.0391	1	1
Schistosoma mansoni	hypothetical protein	0.0126	0.2915	0.2616
Brugia malayi	hypothetical protein	0.003	0.0348	0.0348
Echinococcus multilocularis	neurogenic locus protein delta	0.0126	0.2915	0.2616
Onchocerca volvulus		0.0126	0.2915	0.2616
Loa Loa (eye worm)	hypothetical protein	0.0391	1	1
Loa Loa (eye worm)	hypothetical protein	0.0391	1	1
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0348	0.5
Schistosoma mansoni	hypothetical protein	0.0126	0.2915	0.2616
Echinococcus multilocularis	protein jagged 1	0.0126	0.2915	0.2616
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Brugia malayi	hypothetical protein	0.002	0.0059	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0391	1	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0126	0.2915	0.2915
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Echinococcus granulosus	protein jagged 2	0.0126	0.2915	0.2616
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Loa Loa (eye worm)	notch protein	0.0126	0.2915	0.2915
Echinococcus granulosus	delta-like protein 1	0.0126	0.2915	0.2616
Onchocerca volvulus	Peroxidasin homolog	0.0391	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0391	1	1
Onchocerca volvulus		0.0126	0.2915	0.2616
Schistosoma mansoni	notch	0.0126	0.2915	0.2616
Schistosoma mansoni	peroxidasin	0.0391	1	1
Schistosoma mansoni	notch	0.0126	0.2915	0.2616
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Onchocerca volvulus	Chorion peroxidase homolog	0.0391	1	1
Echinococcus multilocularis	fibropellin Ia	0.0126	0.2915	0.2616
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0126	0.2915	0.2616
Echinococcus granulosus	peroxidasin	0.0391	1	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0126	0.2915	0.2915
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Onchocerca volvulus	Neurogenic locus notch homolog	0.0126	0.2915	0.2616
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1011	0.0632
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0126	0.2915	0.2616
Onchocerca volvulus	Peroxidasin homolog	0.0391	1	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0404	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0391	1	1
Echinococcus granulosus	fibropellin Ia	0.0126	0.2915	0.2616
Brugia malayi	EGF-like domain containing protein	0.0126	0.2915	0.2915
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0126	0.2915	0.2616
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1011	0.0632
Brugia malayi	EGF-like domain containing protein	0.0126	0.2915	0.2915
Schistosoma mansoni	hypothetical protein	0.0126	0.2915	0.2616
Echinococcus granulosus	protein jagged 1	0.0126	0.2915	0.2616
Onchocerca volvulus		0.0391	1	1
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Schistosoma mansoni	notch	0.0126	0.2915	0.2616
Loa Loa (eye worm)	hypothetical protein	0.0391	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1011	0.0632
Toxoplasma gondii	EGF family domain-containing protein	0.0126	0.2915	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0348	0.5
Brugia malayi	intermediate filament protein	0.0033	0.0404	0.0404
Schistosoma mansoni	notch	0.0126	0.2915	0.2616
Echinococcus multilocularis	neural cadherin	0.0126	0.2915	0.2616
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1011	0.0632
Loa Loa (eye worm)	animal heme peroxidase	0.0391	1	1
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Echinococcus granulosus	neurogenic locus notch protein	0.0126	0.2915	0.2616
Onchocerca volvulus		0.0126	0.2915	0.2616
Loa Loa (eye worm)	Notch2	0.0126	0.2915	0.2915
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Brugia malayi	Peroxidasin	0.0391	1	1
Brugia malayi	EGF-like domain containing protein	0.0126	0.2915	0.2915
Echinococcus granulosus	neural cadherin	0.0126	0.2915	0.2616
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0348	0.5
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Echinococcus multilocularis	neurogenic locus notch protein	0.0126	0.2915	0.2616
Schistosoma mansoni	notch	0.0126	0.2915	0.2616
Brugia malayi	Animal haem peroxidase family protein	0.0391	1	1
Brugia malayi	GCC2 and GCC3 family protein	0.0126	0.2915	0.2915
Echinococcus multilocularis	protein jagged 1	0.0126	0.2915	0.2616
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Brugia malayi	Cadherin domain containing protein	0.0126	0.2915	0.2915
Brugia malayi	Animal haem peroxidase family protein	0.0391	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.0391	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0404	0.0404
Brugia malayi	Muscle positioning protein 4	0.0126	0.2915	0.2915
Schistosoma mansoni	hypothetical protein	0.0126	0.2915	0.2616
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0126	0.2915	0.2616
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0404	0.0404
Onchocerca volvulus	Slit protein homolog	0.0126	0.2915	0.2616
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Echinococcus multilocularis	neurogenic locus notch protein	0.0126	0.2915	0.2616
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0348	0.5
Loa Loa (eye worm)	hypothetical protein	0.0391	1	1
Leishmania major	hypothetical protein, conserved	0.003	0.0348	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0348	0.5
Loa Loa (eye worm)	hypothetical protein	0.0391	1	1
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Onchocerca volvulus	Peroxidase homolog	0.0391	1	1
Echinococcus multilocularis	peroxidasin	0.0391	1	1
Giardia lamblia	High cysteine protein	0.0126	0.2915	0.5
Loa Loa (eye worm)	hypothetical protein	0.0126	0.2915	0.2915
Onchocerca volvulus	Peroxidase homolog	0.0391	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.5481 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)	4.1475 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)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.7157 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)	20.5962 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)	20.5962 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)	22.3872 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)	28.1838 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	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: CHEMBL1500186

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1342760