TDR Targets

Basic information

Technical information

TDR Targets ID: 1363725
Name: N-[2-[(3,5-dimethoxyphenyl)-[2-oxo-2-(oxolan- 2-ylmethylamino)-1-phenylethyl]amino]-2-oxoet hyl]furan-2-carboxamide
MW: 521.562 | Formula: C28H31N3O7
H donors: 2 H acceptors: 3 LogP: 3.07 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(OC)cc(c1)N(C(c1ccccc1)C(=O)NCC1CCCO1)C(=O)CNC(=O)c1ccco1
InChi: 1S/C28H31N3O7/c1-35-22-14-20(15-23(16-22)36-2)31(25(32)18-30-27(33)24-11-7-13-38-24)26(19-8-4-3-5-9-19)28(34)29-17-21-10-6-12-37-21/h3-5,7-9,11,13-16,21,26H,6,10,12,17-18H2,1-2H3,(H,29,34)(H,30,33)
InChiKey: DFLXGDREDNEGSK-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

N-[2-[(3,5-dimethoxyphenyl)-[2-oxo-1-phenyl-2-(tetrahydrofuran-2-ylmethylamino)ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide
N-[2-[(3,5-dimethoxyphenyl)-[2-oxo-1-phenyl-2-(2-tetrahydrofuranylmethylamino)ethyl]amino]-2-oxoethyl]-2-furancarboxamide
N-[2-[(3,5-dimethoxyphenyl)-[2-keto-1-phenyl-2-(tetrahydrofurfurylamino)ethyl]amino]-2-keto-ethyl]-2-furamide
N-[2-[(3,5-dimethoxyphenyl)-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenyl-ethyl]amino]-2-oxo-ethyl]furan-2-carboxamide
ASN 05989883

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	Niemann-Pick disease, type C1	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Entamoeba histolytica	Niemann-Pick C1 protein, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Schistosoma japonicum	ko:K07003 Niemann Pick type C1, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Candida albicans	potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma mansoni	niemann-pick C1 (NPC1)	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus granulosus	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Brugia malayi	Niemann-Pick C1 protein precursor	Get druggable targets OG5_128206	All targets in OG5_128206

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	patched 1	0.0051	0.0049	0.0053
Echinococcus granulosus	Niemann Pick C1 protein	0.017	0.1324	0.1439
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.0163	0.0163
Echinococcus granulosus	microtubule associated protein 2	0.0754	0.7589	0.8248
Toxoplasma gondii	carbamoylphosphate synthetase	0.0078	0.0337	0.0193
Trichomonas vaginalis	glutaminase, putative	0.0299	0.2706	0.5527
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0172	0.0194
Toxoplasma gondii	pyruvate carboxylase	0.0345	0.3196	0.3356
Schistosoma mansoni	pyruvate carboxylase	0.0345	0.3196	0.3474
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0165	0.1275	0.1439
Echinococcus granulosus	acetyl coenzyme A carboxylase 1	0.0905	0.92	1
Schistosoma mansoni	carbamoyl-phosphate synthetase	0.0078	0.0337	0.0366
Echinococcus multilocularis	Niemann Pick C1 protein	0.0119	0.0777	0.0777
Echinococcus multilocularis	propionyl coenzyme A carboxylase alpha chain	0.0345	0.3196	0.3196
Schistosoma mansoni	hypothetical protein	0.0049	0.0029	0.0032
Echinococcus granulosus	histone lysine methyltransferase setb	0.0063	0.0177	0.0192
Trypanosoma cruzi	acetyl-CoA carboxylase, putative	0.0123	0.0816	0.1034
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0084	0.0407	0.0459
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0063	0.0177	0.0015
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0192	0.0192
Echinococcus granulosus	propionyl coenzyme A carboxylase alpha chain	0.0345	0.3196	0.3474
Brugia malayi	jmjC domain containing protein	0.006	0.0142	0.0161
Onchocerca volvulus		0.0096	0.0528	0.1073
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0007	0.0008
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0072	0.0276	0.03
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0105	0.0629	0.071
Schistosoma mansoni	hypothetical protein	0.0049	0.0029	0.0032
Leishmania major	acetyl-CoA carboxylase, putative	0.0905	0.92	1
Brugia malayi	Pre-SET motif family protein	0.0063	0.0177	0.02
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0192	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0629	0.071
Schistosoma mansoni	acetyl-CoA carboxylase	0.0905	0.92	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0272	0.0307
Schistosoma mansoni	hypothetical protein	0.0185	0.1488	0.1617
Trypanosoma cruzi	acetyl-CoA carboxylase	0.056	0.5506	1
Brugia malayi	Carboxyl transferase domain containing protein	0.0873	0.8861	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0119	0.0777	0.0844
Leishmania major	methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein	0.0345	0.3196	0.3356
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.0142	0.0161
Echinococcus granulosus	lysosomal alpha glucosidase	0.0165	0.1275	0.1386
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0121	0.0797	0.0866
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0192	0.0216
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0165	0.1275	0.1275
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0063	0.0177	0.0192
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0192	0.0208
Mycobacterium ulcerans	bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3	0.0345	0.3196	1
Schistosoma mansoni	carbamoyl-phosphate synthetase	0.0078	0.0337	0.0366
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.0905	0.92	0.92
Schistosoma mansoni	hypothetical protein	0.0049	0.0029	0.0032
Leishmania major	carbamoyl-phosphate synthase, putative	0.0078	0.0337	0.0193
Echinococcus multilocularis	sterol regulatory element binding protein	0.0051	0.0049	0.0049
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0655	0.652	1
Schistosoma mansoni	hypothetical protein	0.0185	0.1488	0.1617
Echinococcus multilocularis	propionyl coenzyme A carboxylase beta chain	0.0123	0.0816	0.0816
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0072	0.0276	0.0276
Loa Loa (eye worm)	glutaminase 2	0.0299	0.2706	0.3053
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0072	0.0276	0.0311
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.006	0.0142	0.0155
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0345	0.3196	0.5584
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0165	0.1275	0.1439
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0192	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0049	0.0056
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0123	0.0816	0.1034
Brugia malayi	jmjC domain containing protein	0.006	0.0142	0.0161
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0105	0.0629	0.071
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0345	0.3196	0.3272
Schistosoma mansoni	hypothetical protein	0.0047	0.0007	0.0008
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 4 AccD4	0.0123	0.0816	0.2154
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0165	0.1275	0.1275
Brugia malayi	Pre-SET motif family protein	0.0439	0.4206	0.4747
Schistosoma mansoni	jumonji/arid domain-containing protein	0.006	0.0142	0.0155
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0163	0.0177
Brugia malayi	RNA binding protein	0.0064	0.0192	0.0216
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0123	0.0816	0.1034
Plasmodium vivax	carbamoyl phosphate synthetase, putative	0.0078	0.0337	0.0253
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 5 AccD5	0.0123	0.0816	0.2154
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0072	0.0276	0.0125
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0345	0.3196	0.5584
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0105	0.0629	0.071
Trypanosoma cruzi	glutamine dependent carbamoyl-phosphate synthase, putative	0.0078	0.0337	0.0117
Trypanosoma brucei	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0123	0.0816	0.0606
Schistosoma mansoni	propionyl-CoA carboxylase beta chain mitochondrial precursor	0.0123	0.0816	0.0887
Brugia malayi	hypothetical protein	0.0231	0.1979	0.2234
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0192	0.0216
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.006	0.0142	0.0142
Schistosoma mansoni	microtubule-associated protein tau	0.0754	0.7589	0.8248
Mycobacterium tuberculosis	Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase)	0.0123	0.0816	0.2154
Onchocerca volvulus		0.0499	0.4856	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0439	0.4206	0.4747
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0084	0.0407	0.0442
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0063	0.0177	0.0177
Mycobacterium ulcerans	acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3	0.0123	0.0816	0.2154
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0051	0.0049	0.0056
Schistosoma mansoni	hypothetical protein	0.0049	0.0029	0.0032
Echinococcus granulosus	geminin	0.0185	0.1488	0.1617
Mycobacterium ulcerans	acetyl-/propionyl-CoA carboxylase subunit beta	0.0123	0.0816	0.2154
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0072	0.0276	0.0311
Trichomonas vaginalis	set domain proteins, putative	0.0499	0.4856	1
Wolbachia endosymbiont of Brugia malayi	Acetyl/propionyl-CoA carboxylase, alpha subunit	0.0345	0.3196	1
Echinococcus multilocularis	protein dispatched 1	0.0058	0.0126	0.0126
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0063	0.0177	0.0192
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0345	0.3196	0.3474
Brugia malayi	latrophilin 2 splice variant baaae	0.0072	0.0272	0.0307
Echinococcus multilocularis	protein patched	0.0051	0.0049	0.0049
Mycobacterium tuberculosis	Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6	0.0123	0.0816	0.2154
Mycobacterium ulcerans	pyruvate carboxylase	0.0345	0.3196	1
Trypanosoma brucei	unspecified product	0.0227	0.1931	0.1854
Chlamydia trachomatis	biotin carboxylase	0.0313	0.2857	1
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.0905	0.92	1
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0777	0.0877
Brugia malayi	TAR-binding protein	0.0064	0.0192	0.0216
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1	0.0345	0.3196	1
Giardia lamblia	Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative	0.0154	0.1156	0.5
Schistosoma mansoni	aspartate carbamoyltransferase	0.0078	0.0337	0.0366
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.0905	0.92	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0063	0.0177	0.0192
Echinococcus granulosus	lysine specific demethylase 5A	0.006	0.0142	0.0155
Brugia malayi	Niemann-Pick C1 protein precursor	0.0119	0.0777	0.0877
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0063	0.0177	0.0177
Echinococcus multilocularis	expressed conserved protein	0.0112	0.0699	0.0699
Trypanosoma cruzi	glutamine-dependent carbamoyl-phosphate synthetase, putative	0.0078	0.0337	0.0117
Loa Loa (eye worm)	glutaminase	0.0299	0.2706	0.3053
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0192	0.0216
Mycobacterium ulcerans	carbamoyl phosphate synthase large subunit	0.0078	0.0337	0.0574
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0072	0.0276	0.03
Mycobacterium tuberculosis	Probable pyruvate carboxylase Pca (pyruvic carboxylase)	0.0345	0.3196	1
Echinococcus granulosus	Protein patched homolog 1	0.0051	0.0049	0.0053
Schistosoma mansoni	glutaminase	0.0299	0.2706	0.2941
Echinococcus granulosus	expressed conserved protein	0.0112	0.0699	0.076
Schistosoma mansoni	hypothetical protein	0.0072	0.0272	0.0296
Leishmania major	propionyl-coa carboxylase beta chain, putative	0.0123	0.0816	0.0723
Loa Loa (eye worm)	hypothetical protein	0.0231	0.1979	0.2234
Mycobacterium ulcerans	glutaminase	0.0299	0.2706	0.8382
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0192	0.0208
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0119	0.0777	0.5691
Onchocerca volvulus		0.0084	0.0407	0.0824
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0192	0.0208
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2	0.0345	0.3196	1
Mycobacterium ulcerans	acetyl/propionyl CoA carboxylase subunit beta	0.0123	0.0816	0.2154
Schistosoma mansoni	alpha-glucosidase	0.0142	0.1028	0.1118
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0061	0.0152	0.0165
Echinococcus granulosus	L aminoadipate semialdehyde	0.0084	0.0407	0.0442
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0345	0.3196	0.3474
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0007	0.0008
Echinococcus multilocularis	geminin	0.0185	0.1488	0.1488
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0084	0.0407	0.0407
Entamoeba histolytica	acetyl-coA carboxylase, putative	0.0154	0.1156	1
Trypanosoma brucei	glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative	0.0078	0.0337	0.0069
Echinococcus granulosus	survival motor neuron protein 1	0.0231	0.1979	0.2151
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0177	0.02
Onchocerca volvulus		0.0063	0.0177	0.0349
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0655	0.652	1
Trypanosoma brucei	acetyl-CoA carboxylase	0.0905	0.92	1
Wolbachia endosymbiont of Brugia malayi	Acetyl-CoA carboxylase, carboxyltransferase component	0.0123	0.0816	0.1676
Toxoplasma gondii	acyl-CoA carboxyltransferase beta chain, putative	0.0123	0.0816	0.0723
Schistosoma mansoni	jumonji domain containing protein	0.006	0.0142	0.0155
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.0873	0.8861	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0163	0.0177
Schistosoma mansoni	jumonji/arid domain-containing protein	0.006	0.0142	0.0155
Mycobacterium tuberculosis	Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie	0.0345	0.3196	1
Echinococcus granulosus	propionyl coenzyme A carboxylase beta chain	0.0123	0.0816	0.0887
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 4 AccD4_2	0.0123	0.0816	0.2154
Brugia malayi	CHE-14 protein	0.0051	0.0049	0.0056
Leishmania major	carboxylase, putative	0.0345	0.3196	0.3356
Mycobacterium leprae	Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP)	0.0345	0.3196	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0192	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0407	0.0459
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0192	0.0208
Echinococcus granulosus	sterol regulatory element binding protein	0.0051	0.0049	0.0053
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0345	0.3196	0.3272
Echinococcus multilocularis	microtubule associated protein 2	0.0754	0.7589	0.7589
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.0163	0.0177
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0063	0.0177	0.0192
Schistosoma mansoni	alpha-glucosidase	0.0142	0.1028	0.1118
Echinococcus multilocularis	Niemann Pick C1 protein	0.017	0.1324	0.1324
Echinococcus multilocularis	survival motor neuron protein 1	0.0231	0.1979	0.1979
Leishmania major	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0123	0.0816	0.0723
Echinococcus multilocularis	lysine specific demethylase 5A	0.006	0.0142	0.0142
Brugia malayi	glutaminase DH11.1	0.0299	0.2706	0.3053

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.5481 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]	ChEMBL.	No reference
Potency (functional)	= 5.6234 um	PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (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)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	89.1251 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

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: CHEMBL1477313

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1363725