TDR Targets

Basic information

Technical information

TDR Targets ID: 652964
Name: 1-(4-methoxyphenyl)-3-piperidin-1-ylpyrrolidi ne-2,5-dione
MW: 288.342 | Formula: C16H20N2O3
H donors: 0 H acceptors: 2 LogP: 1.69 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)N1C(=O)CC(C1=O)N1CCCCC1
InChi: 1S/C16H20N2O3/c1-21-13-7-5-12(6-8-13)18-15(19)11-14(16(18)20)17-9-3-2-4-10-17/h5-8,14H,2-4,9-11H2,1H3
InChiKey: FGHXHGXNKZPYCG-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-(4-methoxyphenyl)-3-(1-piperidyl)pyrrolidine-2,5-dione
1-(4-methoxyphenyl)-3-piperidino-pyrrolidine-2,5-quinone
1-(4-methoxyphenyl)-3-piperidin-1-yl-pyrrolidine-2,5-dione
1-(4-Methoxy-phenyl)-3-piperidin-1-yl-pyrrolidine-2,5-dione
BAS 00126092
SR-01000430827-2
MLS000709335
SMR000290002
ST5217419
CBDivE_000892

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Human immunodeficiency virus 1	Aberrant vpr protein	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0047	0.019
Echinococcus multilocularis	6 phosphofructokinase	0.0127	0.0258	0.1069
Schistosoma mansoni	hypothetical protein	0.0035	0.0014	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0384	0.0384
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0218	0.0218
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0047	0.0047
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0012	0.005
Trichomonas vaginalis	esterase, putative	0.0035	0.0012	0.0074
Schistosoma mansoni	lipoxygenase	0.0094	0.0171	0.0787
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0096	0.0174	0.0801
Schistosoma mansoni	hypothetical protein	0.0102	0.0192	0.0885
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0171	0.0171
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0112	0.0218	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0838	0.2155	0.2155
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0171	0.0171
Mycobacterium ulcerans	hydrolase	0.0115	0.0226	0.0995
Brugia malayi	Matrixin family protein	0.0228	0.0527	0.0526
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0012	0.0074
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0047	0.019
Schistosoma mansoni	endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase)	0.0096	0.0174	0.0801
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0102	0.0192	0.0885
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.2142	0.9941
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0012	0.005
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0012	0.0012
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0198	0.0447	0.2069
Schistosoma mansoni	neprilysin-2 (M13 family)	0.0198	0.0447	0.2069
Schistosoma mansoni	endothelin-converting enzyme-related	0.0096	0.0174	0.0801
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0198	0.0447	0.2069
Echinococcus multilocularis	GPCR, family 2	0.0035	0.0014	0.0051
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0115	0.0478
Trichomonas vaginalis	phosphofructokinase, putative	0.0127	0.0258	1
Brugia malayi	beta-lactamase family protein	0.0035	0.0012	0.0011
Brugia malayi	beta-lactamase family protein	0.0035	0.0012	0.0011
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0838	0.2155	1
Echinococcus granulosus	endothelin converting enzyme 1	0.0838	0.2155	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0127	0.0258	1
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0531	0.0531
Trichomonas vaginalis	phosphofructokinase, putative	0.0127	0.0258	1
Loa Loa (eye worm)	zinc metallopeptidase 4	0.0096	0.0174	0.0174
Loa Loa (eye worm)	phosphofructokinase	0.0127	0.0258	0.0258
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0012	0.0074
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0343	0.0834	0.3475
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0127	0.0258	0.1144
Loa Loa (eye worm)	6-phosphofructokinase	0.0127	0.0258	0.0258
Mycobacterium leprae	PROBABLE HYDROLASE	0.0115	0.0226	0.0995
Schistosoma mansoni	hypothetical protein	0.0035	0.0014	0.0057
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.0014	0.0014
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0096	0.0174	0.0801
Onchocerca volvulus	Matrilysin homolog	0.0209	0.0477	0.2926
Wolbachia endosymbiont of Brugia malayi	extracellular metallopeptidase	0.112	0.2908	0.5
Echinococcus granulosus	6 phosphofructokinase	0.0127	0.0258	0.1189
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0171	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0743	0.19	0.19
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0198	0.0447	0.2069
Toxoplasma gondii	peptidase family M13 protein	0.0838	0.2155	1
Loa Loa (eye worm)	hypothetical protein	0.0467	0.1164	0.1164
Onchocerca volvulus		0.0095	0.0173	0.1055
Onchocerca volvulus		0.0134	0.0276	0.1688
Entamoeba histolytica	phosphofructokinase, putative	0.0127	0.0258	1
Entamoeba histolytica	phosphofructokinase, putative	0.0127	0.0258	1
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0736	0.1882	0.1882
Echinococcus multilocularis	muscleblind protein	0.0174	0.0384	0.1598
Loa Loa (eye worm)	cytochrome P450 family protein	0.0051	0.0055	0.0055
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0035	0.0014	0.0051
Onchocerca volvulus		0.0035	0.0012	0.0067
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0095	0.0173	0.0171
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0047	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0012	0.0012
Schistosoma mansoni	6-phosphofructokinase	0.0127	0.0258	0.1189
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0012	0.0012
Schistosoma mansoni	polycystin 1-related	0.0121	0.0242	0.1117
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0384	0.0384
Brugia malayi	Muscleblind-like protein	0.0174	0.0384	0.0383
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0115	0.0226	0.0995
Loa Loa (eye worm)	hypothetical protein	0.064	0.1627	0.1627
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	0.0838	0.2155	0.2153
Schistosoma mansoni	hypothetical protein	0.0198	0.0447	0.2068
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0115	0.0486
Brugia malayi	ecdysteroid receptor	0.0229	0.0531	0.053
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0127	0.0258	0.1144
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0115	0.4174
Leishmania major	ATP-dependent phosphofructokinase	0.0127	0.0258	1
Schistosoma mansoni	hypothetical protein	0.0102	0.0192	0.0885
Onchocerca volvulus		0.0035	0.0012	0.0067
Schistosoma mansoni	survival motor neuron protein	0.0095	0.0173	0.0796
Echinococcus multilocularis	survival motor neuron protein 1	0.0467	0.1164	0.4852
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0012	0.0012
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0929	0.2397	1
Echinococcus multilocularis	geminin	0.0198	0.0447	0.1859
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0123	0.0123
Mycobacterium ulcerans	zinc metalloprotease	0.0838	0.2155	1
Loa Loa (eye worm)	matrixin family protein	0.0209	0.0477	0.0477
Echinococcus granulosus	survival motor neuron protein 1	0.0467	0.1164	0.5397
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0034	0.0011	0.5
Schistosoma mansoni	6-phosphofructokinase	0.0127	0.0258	0.1189
Mycobacterium leprae	probable zinc metalloprotease	0.0838	0.2155	1
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0096	0.0174	0.0801
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.0014	0.0057
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0012	0.0045
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0012	0.0012
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0127	0.0258	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0127	0.0258	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0047	0.0046
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0047	0.0212
Onchocerca volvulus		0.064	0.1627	1
Echinococcus granulosus	snurportin 1	0.0323	0.078	0.3617
Loa Loa (eye worm)	matrix metalloproteinase	0.0094	0.0171	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0736	0.1882	0.1882
Brugia malayi	Cytochrome P450 family protein	0.0051	0.0055	0.0053
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0323	0.078	0.078
Mycobacterium tuberculosis	Probable zinc metalloprotease Zmp1	0.0838	0.2155	1
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0012	1
Loa Loa (eye worm)	6-phosphofructokinase	0.0127	0.0258	0.0258
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0034	0.0011	0.5
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0078	0.0127	0.0583
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0012	0.0012
Brugia malayi	beta-lactamase	0.0035	0.0012	0.0011
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0112	0.0218	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0736	0.1882	0.1882
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0135	0.0279	0.1291
Schistosoma mansoni	hypothetical protein	0.0102	0.0192	0.0885
Loa Loa (eye worm)	hypothetical protein	0.0743	0.19	0.19
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0012	0.0012
Schistosoma mansoni	neprilysin	0.0102	0.0192	0.0885
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0035	0.0014	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0226	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0743	0.19	0.19
Brugia malayi	Matrixin family protein	0.0094	0.0171	0.0169
Schistosoma mansoni	Nep2 peptidase (M13 family)	0.0198	0.0447	0.2069
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0115	0.0478
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0012	0.005
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0115	0.0526
Echinococcus granulosus	geminin	0.0198	0.0447	0.2068
Brugia malayi	peptidase family M13 containing protein	0.0096	0.0174	0.0172
Brugia malayi	Matrixin family protein	0.0094	0.0171	0.0169
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0112	0.0218	0.0217
Onchocerca volvulus	Matrilysin homolog	0.0094	0.0171	0.1041
Loa Loa (eye worm)	hypothetical protein	0.0743	0.19	0.19
Brugia malayi	hypothetical protein	0.0467	0.1164	0.1162
Schistosoma mansoni	hypothetical protein	0.0102	0.0192	0.0885
Loa Loa (eye worm)	hypothetical protein	0.0838	0.2155	0.2155
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0002	0.0002
Loa Loa (eye worm)	matrixin family protein	0.0228	0.0527	0.0527
Echinococcus multilocularis	endothelin converting enzyme 1	0.0838	0.2155	0.8989
Entamoeba histolytica	phosphofructokinase, putative	0.0127	0.0258	1
Brugia malayi	Matrixin family protein	0.0094	0.0171	0.0169
Schistosoma mansoni	hypothetical protein	0.0035	0.0014	0.0057
Schistosoma mansoni	hypothetical protein	0.0095	0.0173	0.0796
Brugia malayi	Peptidase family M13 containing protein	0.0838	0.2155	0.2153
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0012	0.0074
Brugia malayi	Matrixin family protein	0.0094	0.0171	0.0169
Onchocerca volvulus		0.0094	0.0171	0.1041
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.0515	0.2346
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0047	0.0212
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.3779	1	1
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0034	0.0011	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0047	0.0212
Schistosoma mansoni	hypothetical protein	0.0102	0.0192	0.0885
Loa Loa (eye worm)	hypothetical protein	0.0743	0.19	0.19
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0115	0.0473
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0343	0.0834	0.3866
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0094	0.0171	0.0786
Mycobacterium ulcerans	6-phosphofructokinase	0.0127	0.0258	0.1144
Echinococcus multilocularis	snurportin 1	0.0323	0.078	0.3251
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0115	0.0526
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0002	0.0002
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0012	0.0074
Schistosoma mansoni	hypothetical protein	0.0035	0.0014	0.0057
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.0014	0.0051
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0135	0.0279	0.116
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0096	0.0174	0.0801
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0012	0.0012
Toxoplasma gondii	ABC1 family protein	0.0035	0.0012	0.0008
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0127	0.0258	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0115	0.0478
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0127	0.0258	1
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0209	0.0477	0.2926
Loa Loa (eye worm)	hypothetical protein	0.0838	0.2155	0.2155
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.2142	0.9941
Brugia malayi	6-phosphofructokinase	0.0127	0.0258	0.0256
Schistosoma mansoni	hypothetical protein	0.0198	0.0447	0.2068
Onchocerca volvulus	Bile acid receptor homolog	0.0229	0.0531	0.3259
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0014	0.0014
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0115	0.0226	0.0224
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.0014	0.0012
Schistosoma mansoni	hypothetical protein	0.0077	0.0123	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0736	0.1882	0.1882
Loa Loa (eye worm)	hypothetical protein	0.0743	0.19	0.19
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0115	0.0526
Echinococcus granulosus	muscleblind protein	0.0174	0.0384	0.1777
Echinococcus granulosus	GPCR family 2	0.0035	0.0014	0.0057
Brugia malayi	RNA, U transporter 1	0.0086	0.0148	0.0147
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0012	0.0074
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0034	0.0011	0.5
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0002	0.0002
Echinococcus multilocularis	muscleblind protein 1	0.0174	0.0384	0.1598
Brugia malayi	phosphofructokinase	0.0127	0.0258	0.0256
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0115	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0736	0.1882	0.1882
Schistosoma mansoni	hypothetical protein	0.0134	0.0276	0.1274
Brugia malayi	Hemopexin family protein	0.0134	0.0276	0.0274
Brugia malayi	latrophilin 2 splice variant baaae	0.0077	0.0123	0.0122
Schistosoma mansoni	hypothetical protein	0.0323	0.078	0.3617
Schistosoma mansoni	lipoxygenase	0.0135	0.0279	0.1291
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0736	0.1882	0.1882
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.2142	0.8936
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0047	0.0212
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0034	0.0011	0.5
Schistosoma mansoni	hypothetical protein	0.0102	0.0192	0.0885
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0012	0.0011
Brugia malayi	6-phosphofructokinase	0.0127	0.0258	0.0256
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.0014	0.0012
Onchocerca volvulus		0.0035	0.0012	0.0067

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	7.0795 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 17.7828 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)	17.7828 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	26.8545 uM	PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	39.8107 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)	= 70.7946 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)	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: 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

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: CHEMBL1574761
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 652964