TDR Targets

Basic information

Technical information

TDR Targets ID: 1585959
Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2 -cyclohexyl-N-(2-methylpropyl)acetamide
MW: 378.509 | Formula: C20H34N4O3
H donors: 2 H acceptors: 3 LogP: 3.56 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCCCn1c(=O)[nH]c(=O)c(c1N)N(C(=O)CC1CCCCC1)CC(C)C
InChi: 1S/C20H34N4O3/c1-4-5-11-23-18(21)17(19(26)22-20(23)27)24(13-14(2)3)16(25)12-15-9-7-6-8-10-15/h14-15H,4-13,21H2,1-3H3,(H,22,26,27)
InChiKey: BOSBMGZSHNHNOV-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-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-cyclohexyl-N-isobutyl-acetamide
N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-cyclohexyl-N-isobutylacetamide
N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-cyclohexyl-N-isobutyl-acetamide
N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-cyclohexyl-N-(2-methylpropyl)ethanamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0413	0.0468
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0891	0.5107	0.6473
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0148	0.0168
Trypanosoma cruzi	acyl transferase-like protein	0.0058	0.0154	0.0053
Trypanosoma cruzi	beta-ketoacyl synthase family protein, putative	0.0231	0.118	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0076	0.0263	0.0149
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0891	0.5107	0.6473
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0596	0.3354	0.6066
Mycobacterium tuberculosis	Probable lipase LipE	0.0076	0.0263	0.0149
Echinococcus multilocularis	Acyl carrier protein, mitochondrial	0.0093	0.0361	0.164
Loa Loa (eye worm)	beta-lactamase	0.0076	0.0263	0.0298
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0057	0.0148	0.0148
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.017	0.0773
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.1346	0.781	1
Trichomonas vaginalis	esterase, putative	0.0076	0.0263	0.0875
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0093	0.0361	0.0277
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.058	0.3256	0.4057
Mycobacterium tuberculosis	Polyketide synthetase MbtC (polyketide synthase)	0.0288	0.1521	0.1792
Leishmania major	hypothetical protein, conserved	0.0277	0.1455	1
Onchocerca volvulus		0.0076	0.0263	0.012
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0488	0.2708	0.3341
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0102	0.0413	0.0413
Brugia malayi	hypothetical protein	0.0077	0.0268	0.0268
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0138	0.0631	0.2867
Onchocerca volvulus		0.0076	0.0263	0.012
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0891	0.5106	0.6471
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0948	0.5447	0.6916
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0891	0.5107	0.5107
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.017	0.0028
Mycobacterium ulcerans	polyketide synthase	0.0891	0.5107	0.6473
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0141	0.0647	0.0651
Mycobacterium ulcerans	3-oxoacyl-(acyl carrier protein) synthase II	0.0231	0.118	0.1347
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0061	0.017	0.0167
Brugia malayi	beta-lactamase	0.0076	0.0263	0.0263
Trypanosoma cruzi	Acyl carrier protein, mitochondrial, putative	0.0093	0.0361	0.2059
Loa Loa (eye worm)	hypothetical protein	0.0487	0.2704	0.3065
Mycobacterium leprae	PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE)	0.0289	0.1525	0.1797
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.017	0.0773
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0891	0.5107	0.6473
Mycobacterium ulcerans	polyketide synthase MbtC	0.0231	0.118	0.1347
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0948	0.5447	0.6916
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0891	0.5107	0.6473
Schistosoma mansoni	hypothetical protein	0.0402	0.2199	1
Plasmodium falciparum	3-oxoacyl-acyl-carrier protein synthase I/II	0.0231	0.118	1
Plasmodium vivax	acyl carrier protein, putative	0.0093	0.0361	0.2016
Trichomonas vaginalis	penicillin-binding protein, putative	0.0076	0.0263	0.0875
Trypanosoma brucei	Acyl carrier protein, mitochondrial	0.0093	0.0361	0.2059
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0859	0.4914	0.6221
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.1346	0.781	1
Mycobacterium ulcerans	malonyl CoA-acyl carrier protein transacylase FabD	0.0058	0.0154	0.0007
Trichomonas vaginalis	penicillin-binding protein, putative	0.0076	0.0263	0.0875
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0766	0.4362	0.55
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0154	0.0174
Mycobacterium leprae	Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0093	0.0361	0.0277
Mycobacterium ulcerans	polyketide synthase MbtD	0.0283	0.1489	0.175
Echinococcus granulosus	mitochondrial trans 2 enoyl coenzyme A reductase	0.0057	0.0148	0.0674
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0948	0.5447	0.6916
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0148	0.0168
Loa Loa (eye worm)	acyl carrier protein	0.0093	0.0361	0.0409
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0138	0.0631	0.2867
Mycobacterium ulcerans	fatty-acid-CoA ligase FadD9	0.0093	0.0361	0.0277
Brugia malayi	beta-lactamase family protein	0.0076	0.0263	0.0263
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0948	0.5447	0.6916
Plasmodium vivax	hypothetical protein, conserved	0.0132	0.0592	0.4269
Toxoplasma gondii	3-oxoacyl-acyl-carrier protein synthase I/II, putative	0.0231	0.118	0.198
Entamoeba histolytica	hypothetical protein	0.0077	0.0268	0.5625
Plasmodium falciparum	acyl carrier protein	0.0093	0.0361	0.2016
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0138	0.0631	0.2867
Chlamydia trachomatis	3-oxoacyl-ACP synthase	0.0231	0.118	1
Mycobacterium ulcerans	3-oxoacyl-(acyl carrier protein) synthase II	0.0231	0.118	0.1347
Schistosoma mansoni	hypothetical protein	0.0205	0.1025	0.4661
Trypanosoma cruzi	beta-ketoacyl synthase family protein, putative	0.0231	0.118	1
Onchocerca volvulus		0.16	0.932	0.9643
Brugia malayi	Methyltransferase-like protein 4	0.0277	0.1455	0.1455
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0141	0.0647	0.0651
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0891	0.5107	0.6473
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0891	0.5107	0.6473
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0948	0.5447	0.6916
Trichomonas vaginalis	D-aminoacylase, putative	0.0076	0.0263	0.0875
Trichomonas vaginalis	D-aminoacylase, putative	0.0076	0.0263	0.0875
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0138	0.0631	0.2867
Mycobacterium tuberculosis	Polyketide synthetase MbtD (polyketide synthase)	0.0283	0.1489	0.175
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0263	0.0298
Mycobacterium ulcerans	hypothetical protein	0.0093	0.0361	0.0277
Schistosoma mansoni	zinc binding dehydrogenase	0.0057	0.0148	0.0674
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0891	0.5106	0.6471
Mycobacterium tuberculosis	Conserved protein	0.0076	0.0263	0.0149
Schistosoma mansoni	[ACP] S-malonyltransferase	0.0058	0.0154	0.0699
Echinococcus granulosus	AMP dependent ligase	0.0093	0.0361	0.164
Echinococcus multilocularis	geminin	0.0205	0.1025	0.4661
Trypanosoma cruzi	hypothetical protein, conserved	0.0076	0.0263	0.1108
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0263	0.0298
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0138	0.0631	0.2867
Toxoplasma gondii	ABC1 family protein	0.0076	0.0263	0.0255
Mycobacterium tuberculosis	Meromycolate extension acyl carrier protein AcpM	0.0093	0.0361	0.0277
Schistosoma mansoni	hypothetical protein	0.0205	0.1025	0.4661
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0138	0.0631	0.2867
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0093	0.0361	0.0277
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0138	0.0631	0.2867
Mycobacterium tuberculosis	Probable hydrolase	0.0076	0.0263	0.0149
Schistosoma mansoni	transcription factor LCR-F1	0.0077	0.0268	0.1217
Mycobacterium ulcerans	beta-lactamase	0.0076	0.0263	0.0149
Toxoplasma gondii	type I fatty acid synthase, putative	0.0948	0.5447	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0102	0.0413	0.0468
Onchocerca volvulus		0.0076	0.0263	0.012
Schistosoma mansoni	[ACP] S-malonyltransferase	0.0058	0.0154	0.0699
Loa Loa (eye worm)	phosphopantetheine attachment site family protein	0.0093	0.0361	0.0409
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0231	0.118	0.118
Plasmodium vivax	3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative	0.0231	0.118	1
Mycobacterium ulcerans	polyketide synthase	0.0948	0.5447	0.6916
Echinococcus multilocularis	dnaJ subfamily B	0.0402	0.2199	1
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0948	0.5447	0.6916
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0076	0.0263	0.0298
Mycobacterium ulcerans	polyketide synthase Pks13	0.1346	0.781	1
Chlamydia trachomatis	acyl carrier protein	0.0093	0.0361	0.2016
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0093	0.0361	0.0277
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0724	0.4111	0.5173
Schistosoma mansoni	methyltransferase-related	0.0277	0.1455	0.6615
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0891	0.5107	0.6473
Echinococcus multilocularis	NADH dehydrogenase	0.0093	0.0361	0.164
Mycobacterium leprae	Probable lipase LipE	0.0076	0.0263	0.0149
Echinococcus multilocularis	3 oxoacyl (acyl carrier protein) synthase	0.0231	0.118	0.5367
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0891	0.5107	0.6473
Echinococcus granulosus	beta LACTamase domain containing family member	0.0076	0.0263	0.1194
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.0165	0.075
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.017	0.0028
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.0222	0.0222
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.017	0.0773
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0766	0.4362	0.55
Mycobacterium tuberculosis	Probable fatty acid synthase Fas (fatty acid synthetase)	0.0289	0.1525	0.1797
Leishmania major	hypothetical protein, conserved	0.0076	0.0263	0.0875
Trypanosoma brucei	hypothetical protein, conserved	0.0076	0.0263	0.1108
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0093	0.0361	1
Entamoeba histolytica	hypothetical protein	0.0077	0.0268	0.5625
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0076	0.0263	0.0149
Schistosoma mansoni	hypothetical protein	0.0069	0.0222	0.1009
Mycobacterium tuberculosis	Hypothetical protein	0.0277	0.1455	0.1706
Toxoplasma gondii	aldehyde dehydrogenase	0.0061	0.017	0.0081
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0057	0.0148	0.0148
Loa Loa (eye worm)	beta-ketoacyl synthase domain-containing protein	0.0231	0.118	0.1338
Mycobacterium leprae	PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4	0.0141	0.0647	0.0651
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0093	0.0361	0.0277
Trypanosoma cruzi	acyl transferase-like protein, putative	0.0058	0.0154	0.0053
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0076	0.0263	0.1194
Mycobacterium ulcerans	polyketide synthase Pks9	0.058	0.3256	0.4057
Mycobacterium leprae	conserved hypothetical protein	0.0076	0.0263	0.0149
Brugia malayi	AMP-binding enzyme family protein	0.0859	0.4914	0.4914
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0148	0.0168
Giardia lamblia	Methyltransferase like 2	0.0277	0.1455	0.5
Onchocerca volvulus	Fatty acid synthase homolog	0.1657	0.9659	1
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0231	0.118	1
Toxoplasma gondii	acyl transferase domain-containing protein	0.0058	0.0154	0.0051
Echinococcus multilocularis	Malonyl coenzyme A acyl carrier protein transacylase	0.0058	0.0154	0.0699
Mycobacterium tuberculosis	Acyl carrier protein (ACP) MbtL	0.0093	0.0361	0.0277
Mycobacterium tuberculosis	Probable esterase LipL	0.0076	0.0263	0.0149
Mycobacterium ulcerans	non-ribosomal peptide synthetase	0.0093	0.0361	0.0277
Schistosoma mansoni	hypothetical protein	0.0093	0.0361	0.164
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0093	0.0361	0.0277
Onchocerca volvulus		0.0093	0.0361	0.0223
Mycobacterium tuberculosis	Probable acyl carrier protein AcpA (ACP)	0.0093	0.0361	0.0277
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0132	0.0592	0.4269
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0948	0.5447	0.6916
Brugia malayi	beta-lactamase family protein	0.0076	0.0263	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0263	0.0298
Schistosoma mansoni	hypothetical protein	0.0077	0.0268	0.1217
Mycobacterium tuberculosis	Conserved protein	0.0076	0.0263	0.0149
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0077	0.0268	0.1217
Leishmania major	acyl carrier protein, putative	0.0093	0.0361	0.1626
Toxoplasma gondii	quinone oxidoreductase, putative	0.0057	0.0148	0.004
Mycobacterium ulcerans	thioesterase TesA	0.0766	0.4362	0.55
Toxoplasma gondii	Zn-containing alcohol dehydrogenase	0.0057	0.0148	0.004
Mycobacterium tuberculosis	Probable polyketide beta-ketoacyl synthase Pks4	0.0141	0.0647	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0148	0.0168
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.066	0.3734	0.468
Wolbachia endosymbiont of Brugia malayi	acyl carrier protein	0.0093	0.0361	0.2059
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0138	0.0631	0.0715
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0465	0.257	0.4593
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0061	0.017	0.0028
Echinococcus granulosus	acyl carrier protein mitochondrial	0.0093	0.0361	0.164
Loa Loa (eye worm)	hypothetical protein	0.1516	0.8822	1
Mycobacterium leprae	Polyketide synthase Pks13	0.1346	0.781	1
Schistosoma mansoni	alcohol dehydrogenase	0.0057	0.0148	0.0674
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0222	0.0251
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0093	0.0361	0.0361
Trichomonas vaginalis	conserved hypothetical protein	0.0277	0.1455	1
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0647	0.0733
Mycobacterium tuberculosis	Conserved protein	0.0076	0.0263	0.0149
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0076	0.0263	0.1194
Entamoeba histolytica	hypothetical protein	0.0077	0.0268	0.5625
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0093	0.0361	0.0277
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0712	0.4039	0.5079
Mycobacterium ulcerans	thioesterase	0.0766	0.4362	0.55
Mycobacterium ulcerans	lipase LipD	0.0076	0.0263	0.0149
Mycobacterium leprae	conserved hypothetical protein	0.0093	0.0361	0.0277
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0076	0.0263	0.0149
Mycobacterium tuberculosis	Conserved protein	0.0277	0.1455	0.1706
Echinococcus granulosus	geminin	0.0205	0.1025	0.4661
Mycobacterium ulcerans	acyl carrier protein	0.0093	0.0361	0.0277
Mycobacterium tuberculosis	Probable polyketide synthase Pks17	0.0225	0.1144	0.13
Mycobacterium tuberculosis	Probable polyketide beta-ketoacyl synthase Pks3	0.0141	0.0647	0.0651
Toxoplasma gondii	acyl carrier protein ACP	0.0093	0.0361	0.044
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0263	0.0298
Entamoeba histolytica	hypothetical protein	0.0077	0.0268	0.5625
Trypanosoma brucei	beta-ketoacyl-ACP synthase	0.0231	0.118	1
Brugia malayi	ADP-specific Phosphofructokinase/Glucokinase conserved region family protein	0.0058	0.0154	0.0154
Brugia malayi	Alcohol dehydrogenase class III	0.0057	0.0148	0.0148
Onchocerca volvulus		0.0859	0.4914	0.5011
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0948	0.5447	0.6916
Echinococcus granulosus	3 oxoacyl acyl carrier protein synthase	0.0231	0.118	0.5367
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0712	0.4039	0.5079
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.017	0.0773
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0076	0.0263	0.0149
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.058	0.3256	0.4057
Loa Loa (eye worm)	acyl carrier protein	0.0423	0.2321	0.2631
Echinococcus multilocularis	mitochondrial trans 2 enoyl coenzyme A reductase	0.0057	0.0148	0.0674
Echinococcus multilocularis	AMP dependent ligase	0.0093	0.0361	0.164
Mycobacterium tuberculosis	Probable polyketide synthase Pks15	0.0372	0.2018	0.2441
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.017	0.0028
Schistosoma mansoni	acyl carrier protein	0.0093	0.0361	0.164
Leishmania major	beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative	0.0231	0.118	0.7899
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0859	0.4914	0.557
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0093	0.0361	0.0277
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0523	0.2915	0.3612
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0093	0.0361	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0647	0.0733
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0076	0.0263	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0263	0.0298
Leishmania major	hypothetical protein, conserved	0.0058	0.0154	0.0042
Brugia malayi	Phosphopantetheine attachment site family protein	0.0093	0.0361	0.0361
Mycobacterium ulcerans	acyl carrier protein	0.0093	0.0361	0.0277
Toxoplasma gondii	type I fatty acid synthase	0.0141	0.0647	0.0978
Echinococcus granulosus	Malonyl coenzyme A acyl carrier protein transacylase	0.0058	0.0154	0.0699
Trypanosoma brucei	acyl transferase-like protein	0.0058	0.0154	0.0053
Mycobacterium ulcerans	hypothetical protein	0.0076	0.0263	0.0149
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0138	0.0631	0.0631
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0076	0.0263	0.1194
Trypanosoma cruzi	hypothetical protein, conserved	0.0076	0.0263	0.1108
Echinococcus granulosus	NADH dehydrogenase	0.0093	0.0361	0.164
Onchocerca volvulus	Acyl carrier protein, mitochondrial homolog	0.0093	0.0361	0.0223
Loa Loa (eye worm)	alcohol dehydrogenase class III	0.0057	0.0148	0.0168
Mycobacterium tuberculosis	Probable lipase LipD	0.0076	0.0263	0.0149
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.0093	0.0361	0.0277
Schistosoma mansoni	3-oxoacyl-[ACP] synthase	0.0231	0.118	0.5367
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0076	0.0263	0.0149
Schistosoma mansoni	[ACP] S-malonyltransferase	0.0058	0.0154	0.0699
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0057	0.0148	0.0148
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0712	0.4039	0.5079
Trichomonas vaginalis	D-aminoacylase, putative	0.0076	0.0263	0.0875
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0093	0.0361	0.0277
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0077	0.0268	0.1217
Treponema pallidum	acyl carrier protein	0.0093	0.0361	0.5
Toxoplasma gondii	type I fatty acid synthase, putative	0.0654	0.3699	0.6714
Mycobacterium ulcerans	acyl-CoA synthetase	0.0093	0.0361	0.0277
Brugia malayi	AMP-binding enzyme family protein	0.0283	0.1489	0.1489
Loa Loa (eye worm)	fatty acid synthase	0.0907	0.52	0.5895
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0093	0.0361	1
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0093	0.0361	0.0277
Plasmodium vivax	hypothetical protein, conserved	0.0076	0.0263	0.106
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0891	0.5107	0.6473
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0263	0.0298
Mycobacterium ulcerans	fatty acid synthase Fas	0.0289	0.1525	0.1797
Wolbachia endosymbiont of Brugia malayi	ACP S-malonyltransferase	0.0058	0.0154	0.0053
Brugia malayi	acyl carrier protein, mitochondrial precursor, putative	0.0093	0.0361	0.0361
Echinococcus granulosus	dnaJ subfamily B	0.0402	0.2199	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0102	0.0413	0.0413

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	13.1154 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
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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.

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External resources for this compound

ChEMBL: CHEMBL1899220

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1585959