TDR Targets

Basic information

Technical information

TDR Targets ID: 1538104
Name: N-[[3-(2,5-dimethylphenyl)sulfonyl-1,3-oxazin an-2-yl]methyl]-N'-(3-morpholin-4-ylpropyl)ox amide
MW: 482.594 | Formula: C22H34N4O6S
H donors: 2 H acceptors: 4 LogP: 0.99 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(c(c1)S(=O)(=O)N1CCCOC1CNC(=O)C(=O)NCCCN1CCOCC1)C
InChi: 1S/C22H34N4O6S/c1-17-5-6-18(2)19(15-17)33(29,30)26-9-4-12-32-20(26)16-24-22(28)21(27)23-7-3-8-25-10-13-31-14-11-25/h5-6,15,20H,3-4,7-14,16H2,1-2H3,(H,23,27)(H,24,28)
InChiKey: DHTFVHYTPGBNKO-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-[[3-(2,5-dimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N'-(3-morpholinopropyl)oxamide
N-[[3-(2,5-dimethylphenyl)sulfonyl-1,3-oxazinan-2-yl]methyl]-N'-(3-morpholin-4-ylpropyl)ethanediamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Brugia malayi	beta-lactamase	0.0083	0.0811	0.1286
Onchocerca volvulus		0.0083	0.0811	0.2132
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0021	0.0152	0.012
Loa Loa (eye worm)	transcription factor SMAD2	0.0139	0.1414	0.2242
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0023	0.0174	0.2149
Brugia malayi	MH1 domain containing protein	0.0009	0.0032	0.0051
Trichomonas vaginalis	D-aminoacylase, putative	0.0083	0.0811	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0083	0.0811	0.1205
Mycobacterium tuberculosis	Probable lipase LipE	0.0083	0.0811	0.108
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0023	0.0174	0.0276
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0639	0.6729	1
Onchocerca volvulus		0.0083	0.0811	0.2132
Brugia malayi	RNA, U transporter 1	0.0088	0.087	0.138
Trichomonas vaginalis	penicillin-binding protein, putative	0.0083	0.0811	1
Plasmodium falciparum	importin beta, putative	0.0031	0.0261	0.6375
Mycobacterium tuberculosis	Probable hydrolase	0.0083	0.0811	0.108
Loa Loa (eye worm)	MH1 domain-containing protein	0.0009	0.0032	0.0051
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0032	0.0094
Mycobacterium ulcerans	hypothetical protein	0.0083	0.0811	0.1205
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0083	0.0811	0.108
Loa Loa (eye worm)	NNMT/PNMT/TEMT family protein	0.0599	0.6306	1
Echinococcus granulosus	ubiquitin specific protease 41	0.0036	0.0313	0.082
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0036	0.0313	1
Giardia lamblia	DINP protein human, muc B family	0.0021	0.0152	0.4866
Echinococcus granulosus	importin subunit beta 1	0.0031	0.0261	0.0669
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0023	0.0174	0.0142
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0083	0.0811	0.108
Echinococcus multilocularis	ubiquitin specific protease 41	0.0036	0.0313	0.0282
Mycobacterium ulcerans	esterase/lipase LipP	0.0083	0.0811	0.1205
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0083	0.0811	0.108
Trypanosoma cruzi	hypothetical protein, conserved	0.0083	0.0811	1
Brugia malayi	MH1 domain containing protein	0.0009	0.0032	0.0051
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0036	0.0313	0.0282
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0023	0.0174	0.0276
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0009	0.0032	0.0094
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0499	0.1364
Brugia malayi	beta-lactamase family protein	0.0083	0.0811	0.1286
Echinococcus granulosus	dna polymerase eta	0.0021	0.0152	0.035
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0036	0.0313	0.082
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0313	0.0497
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0045	0.041	0.5057
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0083	0.0811	0.2348
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0313	0.386
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0045	0.041	0.1187
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0152	0.0226
Mycobacterium leprae	conserved hypothetical protein	0.0083	0.0811	1
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0045	0.041	0.1187
Mycobacterium tuberculosis	Conserved protein	0.0083	0.0811	0.108
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.0499	0.0792
Leishmania major	DNA polymerase kappa, putative	0.0021	0.0152	0.1878
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0152	0.1878
Brugia malayi	amine oxidase, flavin-containing family protein	0.0045	0.041	0.065
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0045	0.041	0.5057
Brugia malayi	NNMT/PNMT/TEMT family protein	0.0599	0.6306	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0083	0.0811	1
Onchocerca volvulus		0.0083	0.0811	0.2132
Mycobacterium tuberculosis	Possible oxidoreductase	0.0045	0.041	0.0423
Mycobacterium tuberculosis	Conserved protein	0.0083	0.0811	0.108
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0152	0.1878
Mycobacterium leprae	Probable lipase LipE	0.0083	0.0811	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0152	0.1878
Schistosoma mansoni	amine oxidase	0.0045	0.041	0.1187
Mycobacterium tuberculosis	Conserved protein	0.0083	0.0811	0.108
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0023	0.0174	0.2149
Mycobacterium tuberculosis	Probable esterase LipL	0.0083	0.0811	0.108
Loa Loa (eye worm)	hypothetical protein	0.0599	0.6306	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0083	0.0811	0.2348
Loa Loa (eye worm)	hypothetical protein	0.0045	0.041	0.065
Trichomonas vaginalis	D-aminoacylase, putative	0.0083	0.0811	1
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0152	0.0226
Trypanosoma brucei	unspecified product	0.0014	0.0084	0.1033
Loa Loa (eye worm)	hypothetical protein	0.0599	0.6306	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0083	0.0811	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0528	0.5552	0.8854
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0639	0.6729	1
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0023	0.0174	0.4251
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0036	0.0313	0.244
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0084	0.1033
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0045	0.041	1
Schistosoma mansoni	hypothetical protein	0.0331	0.3455	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0313	0.386
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0036	0.0313	0.386
Onchocerca volvulus	Nischarin homolog	0.0222	0.2291	1
Schistosoma mansoni	Smad4	0.0009	0.0032	0.0094
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0174	0.2149
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0152	0.1878
Trichomonas vaginalis	penicillin-binding protein, putative	0.0083	0.0811	1
Brugia malayi	Smad1	0.0009	0.0032	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0811	0.1286
Trichomonas vaginalis	ran, putative	0.0023	0.0174	0.0334
Entamoeba histolytica	Ran family GTPase	0.0023	0.0174	0.1369
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0021	0.0152	0.1878
Trypanosoma brucei	DNA polymerase eta, putative	0.0021	0.0152	0.1878
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0045	0.041	0.5
Trypanosoma brucei	unspecified product	0.0021	0.0152	0.1878
Brugia malayi	MH2 domain containing protein	0.0009	0.0032	0.0051
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0152	0.1878
Loa Loa (eye worm)	MH2 domain-containing protein	0.0009	0.0032	0.0051
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0313	0.244
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0152	0.1878
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0036	0.0313	0.0282
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0045	0.041	0.1104
Schistosoma mansoni	ran	0.0023	0.0174	0.0505
Brugia malayi	MH2 domain containing protein	0.0139	0.1414	0.2242
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0045	0.041	0.5057
Loa Loa (eye worm)	beta-lactamase	0.0083	0.0811	0.1286
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0036	0.0313	0.0906
Echinococcus granulosus	snurportin 1	0.0331	0.3455	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0083	0.0811	0.1286
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0261	0.3224
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0152	0.1878
Loa Loa (eye worm)	MH2 domain-containing protein	0.0139	0.1414	0.2242
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0023	0.0174	0.5569
Trypanosoma cruzi	DNA polymerase eta, putative	0.0021	0.0152	0.1878
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0152	0.1878
Loa Loa (eye worm)	hypothetical protein	0.0045	0.041	0.065
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0023	0.0174	0.2149
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0036	0.0313	0.244
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0036	0.0313	0.0906
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0331	0.3455	0.5479
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0045	0.041	0.0423
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0036	0.0313	0.386
Mycobacterium ulcerans	beta-lactamase	0.0083	0.0811	0.1205
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0045	0.041	0.0379
Toxoplasma gondii	HEAT repeat-containing protein	0.0031	0.0261	0.3224
Schistosoma mansoni	ran	0.0023	0.0174	0.0505
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0174	0.2149
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.0499	0.0792
Leishmania major	hypothetical protein, conserved	0.0083	0.0811	1
Trichomonas vaginalis	importin beta-1, putative	0.0025	0.0199	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0811	0.1286
Plasmodium vivax	hypothetical protein, conserved	0.0045	0.041	0.5057
Brugia malayi	MH2 domain containing protein	0.0009	0.0032	0.0051
Mycobacterium ulcerans	monoamine oxidase	0.0045	0.041	0.061
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0045	0.041	0.0379
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0036	0.0313	0.0497
Echinococcus multilocularis	nischarin	0.0227	0.2347	0.2323
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0152	0.1878
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0152	0.1878
Leishmania major	UDP-galactopyranose mutase	0.0045	0.041	0.5057
Mycobacterium tuberculosis	Probable lipase LipD	0.0083	0.0811	0.108
Echinococcus multilocularis	dna polymerase kappa	0.0021	0.0152	0.012
Trypanosoma brucei	unspecified product	0.0014	0.0084	0.1033
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0045	0.041	1
Toxoplasma gondii	ABC1 family protein	0.0083	0.0811	1
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0036	0.0313	1
Brugia malayi	hypothetical protein	0.0045	0.041	0.065
Echinococcus granulosus	nischarin	0.0227	0.2347	0.6764
Mycobacterium ulcerans	dehydrogenase	0.0045	0.041	0.061
Echinococcus granulosus	beta LACTamase domain containing family member	0.0083	0.0811	0.2275
Loa Loa (eye worm)	hypothetical protein	0.0045	0.041	0.065
Toxoplasma gondii	histone lysine-specific demethylase	0.0045	0.041	0.5057
Echinococcus multilocularis	snurportin 1	0.0331	0.3455	0.3434
Echinococcus multilocularis	dna polymerase eta	0.0021	0.0152	0.012
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0152	0.1878
Mycobacterium ulcerans	oxidoreductase	0.0045	0.041	0.061
Trypanosoma brucei	hypothetical protein, conserved	0.0083	0.0811	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0084	0.1033
Leishmania major	DNA polymerase eta, putative	0.0021	0.0152	0.1878
Echinococcus multilocularis		0.0045	0.041	0.0379
Brugia malayi	Importin beta-1 subunit	0.0031	0.0261	0.0415
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0152	0.0242
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0499	0.1445
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0083	0.0811	0.1286
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0152	0.1878
Schistosoma mansoni	DNA polymerase eta	0.0021	0.0152	0.0441
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0152	0.1878
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0199	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0045	0.041	0.065
Trichomonas vaginalis	esterase, putative	0.0083	0.0811	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0021	0.0152	0.035
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0023	0.0174	0.0415
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0261	0.3224
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0036	0.0313	0.082
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0499	0.0468
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0499	0.1364
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0045	0.041	0.5057
Echinococcus multilocularis	importin subunit beta 1	0.0031	0.0261	0.023
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0021	0.0152	0.0441
Loa Loa (eye worm)	Smad1	0.0009	0.0032	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0811	0.1286
Entamoeba histolytica	hypothetical protein	0.0025	0.0199	0.2907
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0499	0.1445
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0152	0.1878
Schistosoma mansoni	amine oxidase	0.0045	0.041	0.1187
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0811	0.1286
Schistosoma mansoni	importin beta-1	0.0031	0.0261	0.0757
Loa Loa (eye worm)	hypothetical protein	0.0222	0.2291	0.3633
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0152	0.1878
Brugia malayi	beta-lactamase family protein	0.0083	0.0811	0.1286
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0152	0.1878
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0021	0.0152	0.0441
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0045	0.041	0.061
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0084	0.1033
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0045	0.041	0.5057
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0594	0.6251	1
Brugia malayi	hypothetical protein	0.0222	0.2291	0.3633
Plasmodium falciparum	protoporphyrinogen oxidase	0.0045	0.041	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0152	0.0242
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0152	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0811	0.1286
Leishmania major	importin beta-1 subunit, putative	0.0025	0.0199	0.2454
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0032	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0261	0.0415
Plasmodium vivax	hypothetical protein, conserved	0.0045	0.041	0.5057
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0025	0.0199	0.2454
Plasmodium vivax	hypothetical protein, conserved	0.0083	0.0811	1
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0032	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0045	0.041	0.065
Schistosoma mansoni	smad	0.0009	0.0032	0.0094
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0021	0.0152	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0811	0.1286
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0499	0.0468
Mycobacterium ulcerans	lipase LipD	0.0083	0.0811	0.1205
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0152	0.1878
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0083	0.0811	0.0781
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0499	0.1445
Echinococcus granulosus	dna polymerase kappa	0.0021	0.0152	0.035
Plasmodium vivax	importin-beta 2, putative	0.0031	0.0261	0.3224
Leishmania major	GTP-binding protein, putative	0.0023	0.0174	0.2149
Loa Loa (eye worm)	hypothetical protein	0.0045	0.041	0.065
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0199	0.0709
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0045	0.041	0.1104
Brugia malayi	SWIRM domain containing protein	0.0045	0.041	0.065

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	10 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)	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)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	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: CHEMBL1901774

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Detailed information for compound 1538104