TDR Targets

Basic information

Technical information

TDR Targets ID: 1206403
Name: N-(2-methoxyphenyl)-2-methyl-5-(pyrrolidine-1 -carbonyl)benzenesulfonamide
MW: 374.454 | Formula: C19H22N2O4S
H donors: 1 H acceptors: 3 LogP: 2.73 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1NS(=O)(=O)c1cc(ccc1C)C(=O)N1CCCC1
InChi: 1S/C19H22N2O4S/c1-14-9-10-15(19(22)21-11-5-6-12-21)13-18(14)26(23,24)20-16-7-3-4-8-17(16)25-2/h3-4,7-10,13,20H,5-6,11-12H2,1-2H3
InChiKey: BWLUVZBFHKHWHJ-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-methoxyphenyl)-2-methyl-5-(oxo-1-pyrrolidinylmethyl)benzenesulfonamide
N-(2-methoxyphenyl)-2-methyl-5-pyrrolidin-1-ylcarbonyl-benzenesulfonamide
ZINC03352089
T0518-8442

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	v-ets avian erythroblastosis virus E26 oncogene homolog	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
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Loa Loa (eye worm)	fli-1 protein	Get druggable targets OG5_131947	All targets in OG5_131947
Brugia malayi	Fli-1 protein	Get druggable targets OG5_131947	All targets in OG5_131947
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	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
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	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
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 granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	ets-related	Get druggable targets OG5_131947	All targets in OG5_131947
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K09435 transcriptional regulator ERG, putative	Get druggable targets OG5_131947	All targets in OG5_131947
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

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	hypothetical protein	0.0031	0.0225	0.0225
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0031	0.022	0.0451
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0407	0.1088
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.005	0.05	1
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0407	0.0796
Onchocerca volvulus		0.0043	0.0407	0.8029
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0407	0.0823
Onchocerca volvulus	Bile acid receptor homolog	0.0031	0.022	0.2957
Schistosoma mansoni	RAR-like nuclear receptor	0.0031	0.022	0.022
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0407	0.1088
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0031	0.022	0.022
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0031	0.022	0.0451
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0031	0.022	0.0451
Mycobacterium tuberculosis	Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS)	0.0341	0.4884	1
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0087	0.1069	0.2853
Loa Loa (eye worm)	hypothetical protein	0.0031	0.022	0.0587
Loa Loa (eye worm)	hypothetical protein	0.0018	0.002	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0237	0.3317	0.8852
Schistosoma mansoni	hypothetical protein	0.0031	0.0225	0.0225
Loa Loa (eye worm)	thiamine pyrophosphate enzyme	0.0196	0.2694	0.7191
Brugia malayi	Steroid receptor seven-up type 2	0.0031	0.022	0.0451
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.005	0.05	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0031	0.022	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0031	0.022	0.0587
Schistosoma mansoni	acetolactate synthase	0.0291	0.4138	0.4138
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0031	0.022	0.022
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0407	0.0407
Schistosoma mansoni	hypothetical protein	0.013	0.1711	0.1711
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0111	0.0215
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0584	0.0584
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0031	0.022	0.022
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0407	0.0823
Mycobacterium ulcerans	acetolactate synthase 1 catalytic subunit	0.0341	0.4884	1
Plasmodium falciparum	acyl-CoA synthetase	0.0213	0.2956	0.5
Brugia malayi	beta-lactamase family protein	0.0043	0.0407	0.0834
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0031	0.022	0.0451
Schistosoma mansoni	acetolactate synthase	0.0291	0.4138	0.4138
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0111	0.0215
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0225	0.0225
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0031	0.022	0.022
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0407	0.0823
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1245	0.3323
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0584	0.0584
Mycobacterium ulcerans	2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase	0.0061	0.0665	0.1326
Brugia malayi	nuclear hormone receptor	0.0031	0.022	0.0451
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0407	0.0823
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0099	0.1245	0.2549
Mycobacterium ulcerans	pyruvate or indole-3-pyruvate decarboxylase Pdc	0.0195	0.2689	0.5488
Mycobacterium ulcerans	acetolactate synthase	0.0195	0.2689	0.5488
Brugia malayi	beta-lactamase	0.0043	0.0407	0.0834
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.005	0.05	1
Brugia malayi	Ets-domain containing protein	0.0087	0.1069	0.2189
Schistosoma mansoni	survival motor neuron protein	0.0048	0.048	0.048
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0031	0.022	0.0587
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0031	0.022	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0018	0.002	0.0055
Schistosoma mansoni	ets-related	0.0265	0.3747	0.3747
Plasmodium vivax	acyl-CoA synthetase, putative	0.0213	0.2956	1
Schistosoma mansoni	hypothetical protein	0.0048	0.048	0.048
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0031	0.022	0.022
Echinococcus granulosus	FTZ F1 alpha	0.0031	0.022	0.022
Trypanosoma brucei	phosphonopyruvate decarboxylase-like protein, putative	0.011	0.1412	1
Schistosoma mansoni	hypothetical protein	0.0068	0.0773	0.0773
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0407	0.0796
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0111	0.0186
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.002	0.003
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0225	0.0225
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0111	0.0186
Brugia malayi	steroid hormone receptor	0.0031	0.022	0.0451
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.0773	0.1583
Loa Loa (eye worm)	hypothetical protein	0.0018	0.002	0.0055
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0031	0.022	0.022
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0878	0.2344
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0407	0.0622
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0407	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0031	0.022	0.0587
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0225	0.0225
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0225	0.0225
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0031	0.022	0.0451
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0584	0.0584
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0407	0.0407
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0031	0.022	0.0451
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0031	0.022	0.022
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.002	0.5
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0407	0.0823
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0225	0.0602
Mycobacterium leprae	PROBABLE BIFUNCTIONAL MENAQUINONE BIOSYNTHESIS PROTEIN MEND : 2-SUCCINYL-6-HYDROXY-2,4-CYCLOHEXADIENE-1-CARBOXYLATE SYNTHASE (SH	0.0061	0.0665	0.1162
Loa Loa (eye worm)	hypothetical protein	0.0018	0.002	0.0055
Leishmania major	hypothetical protein, conserved	0.0043	0.0407	0.1151
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0407	0.0407
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0031	0.022	0.022
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0407	0.1088
Mycobacterium tuberculosis	Probable oxalyl-CoA decarboxylase OxcA	0.0341	0.4884	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0407	0.0834
Brugia malayi	Ets-domain containing protein	0.0087	0.1069	0.2189
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0031	0.022	0.0587
Mycobacterium ulcerans	putative oxalyl-CoA decarboxylase	0.0341	0.4884	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0407	0.0823
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0099	0.1245	0.3323
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0111	0.0186
Schistosoma mansoni	hypothetical protein	0.0031	0.0225	0.0225
Echinococcus multilocularis	FTZ F1 alpha	0.0031	0.022	0.022
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0773	0.2063
Echinococcus multilocularis	microtubule associated protein 2	0.0681	1	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0031	0.022	0.022
Loa Loa (eye worm)	ILVBL protein	0.0207	0.286	0.7633
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0407	0.0823
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0031	0.022	0.022
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0225	0.0602
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0031	0.022	0.022
Echinococcus granulosus	GA binding protein alpha chain	0.0087	0.1069	0.1069
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0407	0.0823
Schistosoma mansoni	hypothetical protein	0.0031	0.0225	0.0225
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0407	0.1088
Trypanosoma cruzi	phosphonopyruvate decarboxylase, putative	0.011	0.1412	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0407	0.0823
Onchocerca volvulus		0.0031	0.022	0.2957
Onchocerca volvulus	Protein ultraspiracle homolog	0.0031	0.022	0.2957
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0076	0.0898	0.0898
Loa Loa (eye worm)	hypothetical protein	0.0031	0.022	0.0587
Mycobacterium leprae	Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS)	0.0341	0.4884	1
Mycobacterium ulcerans	hypothetical protein	0.0341	0.4884	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0237	0.3317	0.3317
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0031	0.022	0.0587
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0031	0.022	0.0451
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0031	0.022	0.022
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0161	0.2177	0.2177
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0111	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0111	0.0296
Brugia malayi	Nuclear hormone receptor-like 1	0.0031	0.022	0.0451
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0031	0.022	0.022
Onchocerca volvulus		0.0043	0.0407	0.8029
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0031	0.022	0.0451
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0407	0.0823
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0031	0.022	0.022
Onchocerca volvulus		0.0048	0.048	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0584	0.0584
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0584	0.0584
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0111	0.0227
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0031	0.022	0.0451
Brugia malayi	hypothetical protein	0.0237	0.3317	0.6791
Mycobacterium ulcerans	acetolactate synthase large subunit IlvB	0.0195	0.2689	0.5488
Loa Loa (eye worm)	hypothetical protein	0.0031	0.022	0.0587
Brugia malayi	nuclear receptor NHR-88	0.0031	0.022	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0407	0.1088
Trypanosoma cruzi	phosphonopyruvate decarboxylase, putative	0.011	0.1412	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0111	0.0227
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0225	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0111	0.0296
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.048	0.0984
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0225	0.0462
Onchocerca volvulus		0.0043	0.0407	0.8029
Mycobacterium tuberculosis	Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase)	0.0146	0.1948	0.3982
Leishmania major	putative pyruvate/indole-pyruvate carboxylase, putative	0.0195	0.2689	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0111	0.0186
Schistosoma mansoni	microtubule-associated protein tau	0.0681	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0031	0.022	0.022
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0031	0.022	0.2957
Trypanosoma brucei	phosphonopyruvate decarboxylase-like protein, putative	0.011	0.1412	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0111	0.0296
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0031	0.022	0.022
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.005	0.05	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0111	0.0227
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0111	0.0186
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0031	0.022	0.0451
Brugia malayi	ecdysteroid receptor	0.0031	0.022	0.0451
Mycobacterium leprae	PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE)	0.0341	0.4884	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0584	0.1196
Echinococcus multilocularis	ecdysone induced protein 78C	0.0031	0.022	0.022
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.3931	0.8048
Loa Loa (eye worm)	hypothetical protein	0.0031	0.022	0.0587
Brugia malayi	photoreceptor-specific nuclear receptor	0.0031	0.022	0.0451
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0031	0.022	0.022
Loa Loa (eye worm)	hypothetical protein	0.0031	0.022	0.0587
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0099	0.1245	0.2549
Mycobacterium ulcerans	hypothetical protein	0.011	0.1412	0.2861
Mycobacterium ulcerans	2-oxoglutarate ferredoxin oxidoreductase subunit beta	0.005	0.05	0.0986
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.013	0.1711	0.1711
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0031	0.022	0.0587
Schistosoma mansoni	gabp alpha	0.0087	0.1069	0.1069
Mycobacterium ulcerans	lipase LipD	0.0043	0.0407	0.0796
Brugia malayi	beta-lactamase family protein	0.0043	0.0407	0.0834
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0225	0.0462
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0407	0.0796
Treponema pallidum	pyruvate oxidoreductase	0.005	0.05	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0161	0.2177	0.2177
Brugia malayi	Fli-1 protein	0.0265	0.3747	0.7672
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.005	0.05	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0407	0.1088
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0111	0.0186
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0584	0.156
Mycobacterium tuberculosis	Probable oxidoreductase (beta subunit)	0.005	0.05	0.1013
Echinococcus granulosus	GPCR family 2	0.0031	0.0225	0.0225
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0584	0.0584
Schistosoma mansoni	nuclear hormone receptor	0.0031	0.022	0.022
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0111	0.0186
Loa Loa (eye worm)	fli-1 protein	0.0265	0.3747	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0031	0.022	0.0587
Leishmania major	phosphonopyruvate decarboxylase-like protein	0.011	0.1412	0.5045
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0031	0.022	0.0587
Echinococcus multilocularis	GA binding protein alpha chain	0.0087	0.1069	0.1069
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0031	0.022	0.022
Schistosoma mansoni	coup transcription factor	0.0031	0.022	0.022
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0407	0.0796
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0584	0.0584
Entamoeba histolytica	pyruvate:ferredoxin oxidoreductase	0.005	0.05	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0031	0.022	0.022
Echinococcus granulosus	survival motor neuron protein 1	0.0237	0.3317	0.3317
Giardia lamblia	Pyruvate-flavodoxin oxidoreductase	0.005	0.05	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0161	0.2177	0.2177
Loa Loa (eye worm)	hypothetical protein	0.0031	0.022	0.0587
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0031	0.022	0.022
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0407	0.1088
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.005	0.05	1
Toxoplasma gondii	ABC1 family protein	0.0043	0.0407	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0407	0.1088
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0031	0.022	0.0587
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0031	0.022	0.0451
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0407	0.0407
Loa Loa (eye worm)	hypothetical protein	0.0018	0.002	0.0055
Brugia malayi	Thiamine pyrophosphate enzyme, central domain containing protein	0.0341	0.4884	1
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.013	0.1711	0.1711
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0031	0.022	0.022
Loa Loa (eye worm)	steroid hormone receptor	0.0031	0.022	0.0587
Echinococcus granulosus	ecdysone induced protein 78C	0.0031	0.022	0.022
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0076	0.0898	0.0898

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.7079 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No 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)	6.3096 uM	PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 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)	18.526 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

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: CHEMBL1356276

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1206403