TDR Targets

Basic information

Technical information

TDR Targets ID: 1453828
Name: ethyl 1-[1-(4-chlorophenyl)sulfonylpyrrolidin e-2-carbonyl]piperidine-4-carboxylate
MW: 428.93 | Formula: C19H25ClN2O5S
H donors: 0 H acceptors: 4 LogP: 2.46 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C1CCN(CC1)C(=O)C1CCCN1S(=O)(=O)c1ccc(cc1)Cl
InChi: 1S/C19H25ClN2O5S/c1-2-27-19(24)14-9-12-21(13-10-14)18(23)17-4-3-11-22(17)28(25,26)16-7-5-15(20)6-8-16/h5-8,14,17H,2-4,9-13H2,1H3
InChiKey: KSBTWXVUJGAJJR-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

1-[[1-(4-chlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester
1-[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]isonipecotic acid ethyl ester
ethyl 1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbonylpiperidine-4-carboxylate
STOCK6S-17834

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	multiple endocrine neoplasia I		No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
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 japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	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
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	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 japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913

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
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1028	0.1023
Schistosoma mansoni	ferritin	0.0008	0.0069	0.0069
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0115	0.02
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0215	0.021
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0101	0.0175
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0787	0.1342
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0101	0.0175
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0787	0.0787
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0101	0.0175
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0101	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0215	0.0383
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0215	0.0383
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0787	0.1342
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0101	0.0175
Loa Loa (eye worm)	hypothetical protein	0.001	0.0101	0.0175
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0215	0.021
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1028	0.1023
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0787	0.1427
Echinococcus multilocularis	dnaJ subfamily B	0.0494	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0101	0.0175
Schistosoma mansoni	ferritin	0.0008	0.0069	0.0069
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0215	0.021
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0283	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0101	0.0175
Loa Loa (eye worm)	hypothetical protein	0.001	0.0101	0.0175
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.09	0.1632
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0787	0.1427
Schistosoma mansoni	hypothetical protein	0.0033	0.0583	0.0583
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0787	0.1427
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0101	0.0101
Schistosoma mansoni	hypothetical protein	0.0015	0.0215	0.0215
Echinococcus multilocularis	expressed protein	0.0008	0.0069	0.0063
Echinococcus granulosus	GPCR family 2	0.0015	0.0215	0.021
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0101	0.0096
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0101	0.0096
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0215	0.021
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0787	0.1304
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0787	0.1304
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0787	0.1304
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0101	0.0175
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0101	0.0175
Brugia malayi	nuclear receptor NHR-88	0.001	0.0101	0.0175
Echinococcus multilocularis	cpg binding protein	0.0037	0.0648	0.0643
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1028	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0787	0.1427
Brugia malayi	glutaminase DH11.1	0.0273	0.5486	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0101	0.0101
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0787	0.1427
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0101	0.0175
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0134	0.2631	0.2627
Echinococcus granulosus	expressed protein	0.0008	0.0069	0.0063
Trichomonas vaginalis	esterase, putative	0.0043	0.0787	0.1342
Schistosoma mansoni	hypothetical protein	0.0015	0.0215	0.0215
Schistosoma mansoni	ferritin light chain	0.0008	0.0069	0.0069
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.09	0.1632
Loa Loa (eye worm)	hypothetical protein	0.001	0.0101	0.0175
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0118	0.0112
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0101	0.0175
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0101	0.0175
Leishmania major	hypothetical protein, conserved	0.0043	0.0787	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0101	0.0175
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0787	0.1304
Schistosoma mansoni	cpg binding protein	0.0037	0.0648	0.0648
Echinococcus granulosus	cpg binding protein	0.0037	0.0648	0.0643
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0101	0.0096
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0101	0.0175
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.1403	0.1403
Schistosoma mansoni	coup transcription factor	0.001	0.0101	0.0101
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0101	0.0175
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0074	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0787	0.1427
Loa Loa (eye worm)	hypothetical protein	0.001	0.0101	0.0175
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0101	0.0096
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0787	1
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0101	0.0096
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0787	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.5579	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0101	0.0096
Loa Loa (eye worm)	hypothetical protein	0.001	0.0101	0.0175
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0283	0.0412
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0283	0.0506
Onchocerca volvulus		0.0043	0.0787	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0215	0.021
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0101	0.0101
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0787	0.1327
Schistosoma mansoni	apoferritin-2	0.0008	0.0069	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0049	0.09	0.1632
Schistosoma mansoni	thyroid hormone receptor	0.0134	0.2631	0.2631
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1028	0.1866
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0101	0.0101
Echinococcus multilocularis	ferritin	0.0008	0.0069	0.0063
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1028	0.1028
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0787	0.1327
Mycobacterium ulcerans	glutaminase	0.0273	0.5486	1
Schistosoma mansoni	cpg binding protein	0.0035	0.0608	0.0608
Echinococcus granulosus	ferritin	0.0008	0.0069	0.0063
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0101	0.0096
Brugia malayi	beta-lactamase family protein	0.0043	0.0787	0.1427
Schistosoma mansoni	ferritin	0.0008	0.0069	0.0069
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0787	0.1304
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0124	0.2428	0.2424
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0101	0.0096
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0074	0.0074
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0101	0.0096
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0283	0.5
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0283	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0215	0.0383
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0787	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0101	0.0175
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0101	0.0101
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0009	0.0074	0.0069
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0074	0.0069
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0101	0.0096
Brugia malayi	steroid hormone receptor	0.001	0.0101	0.0175
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0787	0.1327
Schistosoma mansoni	ap endonuclease	0.0019	0.0283	0.0283
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0101	0.0101
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0118	0.0112
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0283	0.0412
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0787	0.1304
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0583	0.1054
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0101	0.0096
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0101	0.0096
Schistosoma mansoni	hypothetical protein	0.0015	0.0215	0.0215
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0283	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0787	0.1427
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0101	0.0096
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0101	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0787	0.1427
Onchocerca volvulus		0.0043	0.0787	1
Trichomonas vaginalis	ferritin, putative	0.0008	0.0069	0.0018
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0787	0.1304
Onchocerca volvulus		0.0043	0.0787	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0101	0.0175
Brugia malayi	nuclear hormone receptor	0.001	0.0101	0.0175
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0283	0.0277
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0608	0.1099
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0283	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0787	0.1342
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0787	0.1304
Schistosoma mansoni	ap endonuclease	0.0019	0.0283	0.0283
Onchocerca volvulus		0.0035	0.0608	0.7378
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0787	0.0782
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0787	0.0787
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0787	0.1304
Schistosoma mansoni	thyroid hormone receptor	0.0134	0.2631	0.2631
Loa Loa (eye worm)	glutaminase 2	0.0273	0.5486	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0787	0.1342
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0583	0.1054
Schistosoma mansoni	apoferritin-2	0.0008	0.0069	0.0069
Toxoplasma gondii	ABC1 family protein	0.0043	0.0787	0.5262
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0283	0.0277
Trichomonas vaginalis	glutaminase, putative	0.0273	0.5486	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0101	0.0175
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0101	0.0175
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0101	0.0175
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.09	0.1632
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0101	0.0096
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0009	0.0074	0.0069
Loa Loa (eye worm)	hypothetical protein	0.001	0.0101	0.0175
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1028	0.1028
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1028	0.1023
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0101	0.0096
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0215	0.0383
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0787	0.0782
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0101	0.0175
Brugia malayi	beta-lactamase	0.0043	0.0787	0.1427
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0124	0.2428	0.2424
Schistosoma mansoni	ferritin	0.0008	0.0069	0.0069
Brugia malayi	ecdysteroid receptor	0.001	0.0101	0.0175
Loa Loa (eye worm)	hypothetical protein	0.001	0.0101	0.0175
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1028	0.1866
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0118	0.0205
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0608	0.1099
Schistosoma mansoni	hypothetical protein	0.0015	0.0215	0.0215
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0101	0.0101
Mycobacterium ulcerans	lipase LipD	0.0043	0.0787	0.1327
Loa Loa (eye worm)	glutaminase	0.0273	0.5486	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0787	0.1342
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0787	1
Brugia malayi	beta-lactamase family protein	0.0043	0.0787	0.1427
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1028	0.1023
Schistosoma mansoni	glutaminase	0.0273	0.5486	0.5486
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0787	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0283	0.5
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0787	0.1427
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0005	0.0006	0.0006
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0101	0.0096
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0101	0.0101
Schistosoma mansoni	hypothetical protein	0.0494	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0787	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0005	0.0006	0.0006
Schistosoma mansoni	hypothetical protein	0.0124	0.2428	0.2428
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0283	0.0388
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0101	0.0175
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0101	0.0175
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0787	0.1327
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0787	0.1304
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0101	0.0096
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0101	0.0101
Schistosoma mansoni	ferritin light chain	0.0008	0.0069	0.0069
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0101	0.0175
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0283	0.0506
Schistosoma mansoni	cpg binding protein	0.0037	0.0648	0.0648
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.1242	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0101	0.0101

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1.7783 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)	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)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 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)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1585341

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1453828