TDR Targets

Basic information

Technical information

TDR Targets ID: 736664
Name: N-(4-acetamidophenyl)-5-oxo-1-(phenylmethyl)p yrrolidine-3-carboxamide
MW: 351.399 | Formula: C20H21N3O3
H donors: 2 H acceptors: 3 LogP: 0.94 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)Nc1ccc(cc1)NC(=O)C1CC(=O)N(C1)Cc1ccccc1
InChi: 1S/C20H21N3O3/c1-14(24)21-17-7-9-18(10-8-17)22-20(26)16-11-19(25)23(13-16)12-15-5-3-2-4-6-15/h2-10,16H,11-13H2,1H3,(H,21,24)(H,22,26)
InChiKey: SVCQOWSAPNYXKB-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-(4-acetamidophenyl)-5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxamide
N-(4-acetamidophenyl)-1-(benzyl)-5-keto-pyrrolidine-3-carboxamide
1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid (4-acetylamino-phenyl)-amide
BAS 07590994
T0515-5868
IDI1_033382
TimTec1_007728
MLS000706421
SMR000288473

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Toxoplasma gondii	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
Schistosoma japonicum	Retinal dehydrogenase 1, putative	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
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	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
Schistosoma mansoni	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
Mycobacterium ulcerans	aldehyde dehydrogenase	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
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	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	aldehyde dehydrogenase	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
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
Mycobacterium ulcerans	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
Candida albicans	Mitochondrial 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
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

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0036	0.028	0.0793
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0092	0.1072
Schistosoma mansoni	ap endonuclease	0.0038	0.0308	0.0214
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0154	0.2059	0.5841
Echinococcus multilocularis	Immunoglobulin	0.0054	0.0557	0.0557
Loa Loa (eye worm)	transcription factor SMAD2	0.0236	0.3297	0.9351
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0038	0.0308	0.2988
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	0.0618	0.9053	0.9053
Schistosoma mansoni	tar DNA-binding protein	0.019	0.2604	0.2553
Schistosoma mansoni	hypothetical protein	0.0055	0.0561	0.0472
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0569	0.1614
Schistosoma mansoni	hypothetical protein	0.0105	0.1324	0.125
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0263	0.0419
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0227	0.0644
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0049	0.0471	0.0471
Brugia malayi	RNA binding protein	0.019	0.2604	0.7386
Schistosoma mansoni	lamin	0.0033	0.0227	0.0132
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0154	0.2059	0.5841
Schistosoma mansoni	tyrosine kinase	0.0087	0.1048	0.0968
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0092	0.0261
Brugia malayi	beta-lactamase family protein	0.0035	0.0263	0.0747
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0557	0.158
Brugia malayi	Plexin repeat family protein	0.0131	0.1711	0.4854
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0064	0.0696	0.0696
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0002	0.0006
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0064	0.0696	0.0696
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0263	0.0842
Loa Loa (eye worm)	RNA binding protein	0.019	0.2604	0.7386
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0038	0.0308	1
Onchocerca volvulus		0.0131	0.1711	0.4092
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.028	0.028
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0842	1
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0263	0.0842
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0098	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0557	0.158
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0263	0.0747
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0263	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0471	0.1336
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0263	0.0747
Echinococcus multilocularis	epidermal growth factor receptor	0.0175	0.2374	0.2374
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0038	0.0308	0.9305
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0038	0.0308	1
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0043	0.0385	0.0726
Loa Loa (eye worm)	hypothetical protein	0.0154	0.2059	0.5841
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0054	0.0557	0.0557
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0092	0.1072
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0263	0.0842
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0263	0.0747
Echinococcus multilocularis	transcription factor collier	0.0024	0.0098	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0657	0.1865
Echinococcus granulosus	neuroglian	0.006	0.0636	0.0636
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0263	0.3113
Onchocerca volvulus	Huntingtin homolog	0.0148	0.1967	0.4738
Brugia malayi	plexin A	0.0155	0.2073	0.588
Onchocerca volvulus		0.0035	0.0263	0.0433
Brugia malayi	DNA-binding protein LAG-1	0.0024	0.0098	0.0277
Brugia malayi	hypothetical protein	0.0055	0.0561	0.1593
Entamoeba histolytica	cell surface protease gp63, putative	0.0024	0.0098	0.0078
Mycobacterium ulcerans	lipase LipD	0.0035	0.0263	0.3113
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0736	0.2088
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0842	0.0758
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0092	0.0261
Schistosoma mansoni	tyrosine kinase	0.0087	0.1048	0.0968
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0092	0.029
Loa Loa (eye worm)	sema domain-containing protein	0.0055	0.0561	0.1593
Schistosoma mansoni	nephrin	0.006	0.0636	0.0548
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0038	0.0308	0.0308
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0263	0.3113
Brugia malayi	Probable exocyst complex component Sec5	0.0024	0.0098	0.0277
Schistosoma mansoni	cellular tumor antigen P53	0.01	0.1238	0.1162
Toxoplasma gondii	exonuclease III APE	0.0038	0.0308	0.0767
Leishmania major	hypothetical protein, conserved	0.0035	0.0263	0.2286
Echinococcus multilocularis	hypothetical protein	0.0055	0.0561	0.0561
Onchocerca volvulus		0.0055	0.0561	0.1186
Schistosoma mansoni	tar DNA-binding protein	0.019	0.2604	0.2553
Onchocerca volvulus		0.0035	0.0263	0.0433
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0098	0.0277
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.028	0.0185
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0263	0.3113
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0263	0.0747
Echinococcus granulosus	intermediate filament protein	0.0033	0.0227	0.0227
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0054	0.0557	0.158
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0561	0.1593
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0225	0.3126	0.8866
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0038	0.0308	0.0985
Brugia malayi	Protein kinase domain containing protein	0.0064	0.0696	0.1973
Echinococcus granulosus	semaphorin 5B	0.0055	0.0561	0.0561
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0092	0.1072
Schistosoma mansoni	tar DNA-binding protein	0.019	0.2604	0.2553
Echinococcus granulosus	transcription factor collier	0.0024	0.0098	0.0098
Echinococcus multilocularis	exocyst complex component 2	0.0024	0.0098	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0002	0.0006
Schistosoma mansoni	tyrosine kinase	0.0087	0.1048	0.0968
Echinococcus multilocularis	plexin a4	0.0155	0.2073	0.2073
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0038	0.0308	0.3641
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0842	0.0842
Brugia malayi	latrophilin 2 splice variant baaae	0.0105	0.1324	0.3756
Echinococcus multilocularis	microtubule associated protein 2	0.0675	0.9912	0.9912
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.028	0.0281
Trichomonas vaginalis	ap endonuclease, putative	0.0038	0.0308	0.0532
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0561	0.1593
Plasmodium falciparum	histone acetyltransferase GCN5	0.0039	0.0331	1
Schistosoma mansoni	tyrosine kinase	0.0099	0.1233	0.1157
Onchocerca volvulus	Huntingtin homolog	0.0148	0.1967	0.4738
Trichomonas vaginalis	protein kinase inhibitor, putative	0.0074	0.0851	0.1908
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0092	0.0261
Brugia malayi	RNA recognition motif domain containing protein	0.019	0.2604	0.7386
Brugia malayi	beta-lactamase	0.0035	0.0263	0.0747
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.028	0.028
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0736	0.2088
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0002	0.0006
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0569	0.048
Echinococcus multilocularis	roundabout 2	0.0066	0.0736	0.0736
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.028	0.028
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0561	0.1593
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0842	1
Schistosoma mansoni	lamin	0.0033	0.0227	0.0132
Onchocerca volvulus		0.0035	0.0263	0.0433
Schistosoma mansoni	cell adhesion molecule	0.0061	0.0657	0.057
Entamoeba histolytica	hypothetical protein	0.0024	0.0098	0.0078
Brugia malayi	DnaJ domain containing protein	0.0074	0.0851	0.2415
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0569	0.0569
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0049	0.0471	0.1336
Schistosoma mansoni	plexin	0.0131	0.1711	0.1644
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0142	0.188	0.188
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0263	0.6831
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0263	1
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1967	0.5579
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0099	0.1233	0.1233
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0263	0.0842
Loa Loa (eye worm)	DnaJ domain-containing protein	0.0074	0.0851	0.2415
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0071	0.0814	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1967	0.5579
Loa Loa (eye worm)	MH2 domain-containing protein	0.0236	0.3297	0.9351
Echinococcus granulosus	lamin	0.0033	0.0227	0.0227
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0263	0.0419
Brugia malayi	IPT/TIG domain containing protein	0.0024	0.0098	0.0277
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0038	0.0308	0.799
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0054	0.0557	0.0468
Echinococcus granulosus	Immunoglobulin	0.0054	0.0557	0.0557
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.3525	1
Entamoeba histolytica	hypothetical protein	0.0071	0.0814	1
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0227	0.0132
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0038	0.0308	0.0873
Echinococcus multilocularis	semaphorin 5B	0.0055	0.0561	0.0561
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0098	0.0277
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0092	0.0261
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0043	0.0385	0.0385
Echinococcus multilocularis	lamin	0.0033	0.0227	0.0227
Schistosoma mansoni	hypothetical protein	0.0074	0.0851	0.0768
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0263	0.0842
Onchocerca volvulus		0.0036	0.028	0.0474
Loa Loa (eye worm)	TK/INSR protein kinase	0.0064	0.0696	0.1973
Schistosoma mansoni	tyrosine kinase	0.0175	0.2374	0.232
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0561	0.1593
Loa Loa (eye worm)	plexin A	0.0155	0.2073	0.588
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0569	0.0569
Brugia malayi	hypothetical protein	0.0055	0.0561	0.1593
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0092	0.029
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0175	0.2374	0.6735
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0842	1
Loa Loa (eye worm)	hypothetical protein	0.01	0.1238	0.3513
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0842	0.0842
Echinococcus granulosus	lamin dm0	0.0033	0.0227	0.0227
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0569	0.0569
Echinococcus multilocularis	musashi	0.0033	0.0227	0.0227
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0049	0.0471	0.0471
Entamoeba histolytica	hypothetical protein	0.0024	0.0098	0.0078
Brugia malayi	Fibronectin type III domain containing protein	0.0054	0.0557	0.158
Echinococcus granulosus	GPCR family 2	0.0049	0.0471	0.0471
Entamoeba histolytica	acetyltransferase, GNAT family	0.0039	0.0331	0.3304
Echinococcus granulosus	semaphorin 1A	0.0055	0.0561	0.0561
Echinococcus multilocularis	GPCR, family 2	0.0049	0.0471	0.0471
Echinococcus granulosus	microtubule associated protein 2	0.0675	0.9912	0.9912
Schistosoma mansoni	hypothetical protein	0.0049	0.0471	0.038
Brugia malayi	Latrophilin receptor protein 2	0.0049	0.0471	0.1336
Echinococcus multilocularis	epidermal growth factor receptor	0.0099	0.1233	0.1233
Brugia malayi	hypothetical protein	0.0071	0.0814	0.2309
Brugia malayi	MH2 domain containing protein	0.0236	0.3297	0.9351
Echinococcus multilocularis	tar DNA binding protein	0.019	0.2604	0.2604
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0038	0.0308	0.2878
Echinococcus granulosus	dnaJ subfamily C 6	0.0074	0.0851	0.0851
Echinococcus multilocularis	Immunoglobulin	0.0054	0.0557	0.0557
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0263	0.0842
Brugia malayi	hypothetical protein	0.0054	0.0557	0.158
Schistosoma mansoni	tar DNA-binding protein	0.019	0.2604	0.2553
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0038	0.0308	0.0308
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0146	0.1941	0.1878
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0038	0.0308	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0569	0.048
Schistosoma mansoni	plexin	0.0076	0.0886	0.0803
Onchocerca volvulus		0.0286	0.4049	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0263	0.0842
Schistosoma mansoni	tyrosine kinase	0.0024	0.01	0.0003
Giardia lamblia	Histone acetyltransferase GCN5	0.0039	0.0331	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0225	0.3126	0.8866
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0092	0.0261
Onchocerca volvulus		0.0033	0.0227	0.0341
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0002	0.5
Echinococcus granulosus	insulin receptor	0.0064	0.0696	0.0696
Schistosoma mansoni	hypothetical protein	0.0071	0.0814	0.073
Entamoeba histolytica	hypothetical protein	0.0071	0.0814	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0263	0.0747
Echinococcus granulosus	defective proboscis extension response	0.0054	0.0557	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0557	0.158
Brugia malayi	exodeoxyribonuclease III family protein	0.0038	0.0308	0.0873
Brugia malayi	TAR-binding protein	0.019	0.2604	0.7386
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0092	0.1072
Schistosoma mansoni	hypothetical protein	0.0055	0.0561	0.0472
Echinococcus granulosus	epidermal growth factor receptor	0.0175	0.2374	0.2374
Echinococcus multilocularis	insulin receptor	0.0064	0.0696	0.0696
Brugia malayi	Sema domain containing protein	0.0055	0.0561	0.1593
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0227	0.0644
Plasmodium vivax	SET domain protein, putative	0.0036	0.028	0.7255
Brugia malayi	beta-lactamase family protein	0.0035	0.0263	0.0747
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0263	0.0842
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0092	0.1072
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0561	0.1593
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0092	0.1072
Schistosoma mansoni	semaphorin 5-related	0.0055	0.0561	0.0472
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0043	0.0385	0.2097
Schistosoma mansoni	tyrosine kinase	0.0064	0.0696	0.0609
Echinococcus granulosus	exocyst complex component 2	0.0024	0.0098	0.0098
Entamoeba histolytica	hypothetical protein	0.0024	0.0098	0.0078
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0263	1
Echinococcus granulosus	tar DNA binding protein	0.019	0.2604	0.2604
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0038	0.0308	0.5
Echinococcus multilocularis	tumor protein p63	0.0681	1	1
Echinococcus granulosus	twitchin	0.006	0.0636	0.0636
Trichomonas vaginalis	esterase, putative	0.0035	0.0263	0.0419
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0263	0.0747
Loa Loa (eye worm)	TAR-binding protein	0.019	0.2604	0.7386
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0043	0.0385	0.0726
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0263	0.0263
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0049	0.0471	0.1336
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0263	0.0419
Entamoeba histolytica	tyrosin kinase, putative	0.0036	0.0283	0.2644
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0098	0.0277
Schistosoma mansoni	hypothetical protein	0.0049	0.0471	0.038
Onchocerca volvulus	Tyrosine kinase homolog	0.0169	0.2283	0.5537
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0061	0.0657	0.0657
Entamoeba histolytica	hypothetical protein	0.0024	0.0098	0.0078
Schistosoma mansoni	hypothetical protein	0.0049	0.0471	0.038
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0263	0.0169
Schistosoma mansoni	tyrosine kinase	0.0064	0.0696	0.0609
Schistosoma mansoni	hypothetical protein	0.0076	0.0886	0.0803
Schistosoma mansoni	tyrosine kinase	0.0099	0.1233	0.1157
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0092	0.1072
Loa Loa (eye worm)	sema domain-containing protein	0.0055	0.0561	0.1593
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.019	0.2604	0.7386
Brugia malayi	intermediate filament protein	0.0033	0.0227	0.0644
Echinococcus multilocularis		0.0051	0.05	0.05
Schistosoma mansoni	ap endonuclease	0.0038	0.0308	0.0214
Brugia malayi	hypothetical protein	0.0148	0.1967	0.5579
Echinococcus multilocularis	neuroglian	0.006	0.0636	0.0636
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0263	0.0747
Brugia malayi	acetyltransferase, GNAT family protein	0.0146	0.1941	0.5507
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.028	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0557	0.158
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0263	0.3113
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0842	0.0758
Brugia malayi	Pre-SET motif family protein	0.0251	0.3525	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0886	0.2513
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0043	0.0385	0.2097
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.028	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1324	0.3756
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.4049	1
Schistosoma mansoni	tar DNA-binding protein	0.019	0.2604	0.2553
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1711	0.4854
Echinococcus multilocularis	lamin dm0	0.0033	0.0227	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0218	0.0619
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0054	0.0557	0.0468
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0557	0.158
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0146	0.1941	0.1941
Trichomonas vaginalis	ap endonuclease, putative	0.0038	0.0308	0.0532
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0569	0.1614
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0071	0.0814	0.0814
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.3105	1
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0043	0.0385	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0263	0.0263
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0569	0.048
Onchocerca volvulus		0.0033	0.0227	0.0341
Entamoeba histolytica	hypothetical protein	0.0071	0.0814	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.028	0.0185
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0049	0.0471	0.0471
Echinococcus multilocularis	dnaJ subfamily C 6	0.0074	0.0851	0.0851
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0561	0.1593
Schistosoma mansoni	hypothetical protein	0.0049	0.0471	0.038
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0049	0.0471	0.0471
Onchocerca volvulus		0.01	0.1238	0.2897
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0002	0.0006
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0263	0.0169
Schistosoma mansoni	vesicular amine transporter	0.0054	0.0557	0.0468
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0227	0.0644
Entamoeba histolytica	protein kinase domain containing protein	0.0036	0.0283	0.2644
Echinococcus granulosus	plexin a4	0.0155	0.2073	0.2073
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0092	0.1072
Schistosoma mansoni	transcription factor LCR-F1	0.0071	0.0814	0.073
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0569	0.0569
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0263	0.0842
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0154	0.2059	0.5841
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0263	0.0747
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0038	0.0308	1
Echinococcus granulosus	roundabout 2	0.0066	0.0736	0.0736
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0842	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0557	0.158
Echinococcus granulosus	epidermal growth factor receptor	0.0099	0.1233	0.1233
Onchocerca volvulus		0.0151	0.2019	0.487
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0263	0.0419
Entamoeba histolytica	hypothetical protein	0.0071	0.0814	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0842	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0263	0.0747
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0092	0.0261
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0842	0.2706
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0263	0.0842
Schistosoma mansoni	microtubule-associated protein tau	0.0675	0.9912	1
Brugia malayi	Pre-SET motif family protein	0.0036	0.028	0.0793
Loa Loa (eye worm)	acetyltransferase	0.0146	0.1941	0.5507
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0002	0.0006
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0227	0.0644
Brugia malayi	Furin-like cysteine rich region family protein	0.0175	0.2374	0.6735
Brugia malayi	Sema domain containing protein	0.0055	0.0561	0.1593
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.026	0.026

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 3.5481 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)	13.1154 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

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: CHEMBL1570421
Search by Saint Jude

Bibliographic References

No literature references available for this target.

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Detailed information for compound 736664