TDR Targets

Basic information

Technical information

TDR Targets ID: 1436587
Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3 -cyclohexyl-N-(2-methylpropyl)propanamide
MW: 392.536 | Formula: C21H36N4O3
H donors: 2 H acceptors: 3 LogP: 3.92 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCCCn1c(N)c(N(C(=O)CCC2CCCCC2)CC(C)C)c(=O)[nH]c1=O
InChi: 1S/C21H36N4O3/c1-4-5-13-24-19(22)18(20(27)23-21(24)28)25(14-15(2)3)17(26)12-11-16-9-7-6-8-10-16/h15-16H,4-14,22H2,1-3H3,(H,23,27,28)
InChiKey: BLCIEWWQORHBMQ-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)-3-cyclohexyl-N-isobutyl-propanamide
N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-3-cyclohexyl-N-isobutylpropanamide
N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-3-cyclohexyl-N-isobutyl-propionamide
N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-3-cyclohexyl-N-(2-methylpropyl)propanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768

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

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0928 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)	0.7519 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 50.1187 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	= 89.1251 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)	89.1251 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.

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: CHEMBL1602026

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1436587