TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 461.985 | Formula: C23H32ClN5O3
H donors: 2 H acceptors: 4 LogP: 3.05 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)N[C@H](c1ccc(cc1)O[C@@H]1CCN(C1)c1nc(ncc1Cl)N(CC(O)(C)C)C)C
InChi: 1S/C23H32ClN5O3/c1-15(26-16(2)30)17-6-8-18(9-7-17)32-19-10-11-29(13-19)21-20(24)12-25-22(27-21)28(5)14-23(3,4)31/h6-9,12,15,19,31H,10-11,13-14H2,1-5H3,(H,26,30)/t15-,19+/m0/s1
InChiKey: AXDGWPHZSMCKCY-HNAYVOBHSA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	acetyl-CoA carboxylase beta	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Neospora caninum	hypothetical protein	Get druggable targets OG5_127493	All targets in OG5_127493
Leishmania infantum	acetyl-CoA carboxylase, putative	Get druggable targets OG5_127493	All targets in OG5_127493
Trypanosoma brucei	acetyl-CoA carboxylase	Get druggable targets OG5_127493	All targets in OG5_127493
Schistosoma japonicum	ko:K01961 acetyl-CoA carboxylase [EC6.4.1.2], putative	Get druggable targets OG5_127493	All targets in OG5_127493
Leishmania donovani	acetyl-CoA carboxylase	Get druggable targets OG5_127493	All targets in OG5_127493
Cryptosporidium parvum	acetyl-CoA carboxylase like biotin dependent carboxylase involved in fatty acid biosynthesis	Get druggable targets OG5_127493	All targets in OG5_127493
Cryptosporidium hominis	acetyl-CoA carboxylase 2	Get druggable targets OG5_127493	All targets in OG5_127493
Schistosoma japonicum	Acetyl-CoA carboxylase, putative	Get druggable targets OG5_127493	All targets in OG5_127493
Candida albicans	acetyl-CoA carboxylase	Get druggable targets OG5_127493	All targets in OG5_127493
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	Get druggable targets OG5_127493	All targets in OG5_127493
Leishmania mexicana	acetyl-CoA carboxylase, putative	Get druggable targets OG5_127493	All targets in OG5_127493
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	Get druggable targets OG5_127493	All targets in OG5_127493
Schistosoma mansoni	acetyl-CoA carboxylase	Get druggable targets OG5_127493	All targets in OG5_127493
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	Get druggable targets OG5_127493	All targets in OG5_127493
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	Get druggable targets OG5_127493	All targets in OG5_127493
Trypanosoma congolense	acetyl-CoA carboxylase	Get druggable targets OG5_127493	All targets in OG5_127493
Plasmodium berghei	biotin carboxylase subunit of acetyl CoA carboxylase, putative	Get druggable targets OG5_127493	All targets in OG5_127493
Echinococcus granulosus	acetyl coenzyme A carboxylase 1	Get druggable targets OG5_127493	All targets in OG5_127493
Trypanosoma cruzi	acetyl-CoA carboxylase	Get druggable targets OG5_127493	All targets in OG5_127493
Plasmodium knowlesi	biotin carboxylase subunit of acetyl CoA carboxylase, putative	Get druggable targets OG5_127493	All targets in OG5_127493
Trypanosoma brucei gambiense	acetyl-CoA carboxylase, putative	Get druggable targets OG5_127493	All targets in OG5_127493
Leishmania major	acetyl-CoA carboxylase, putative	Get druggable targets OG5_127493	All targets in OG5_127493
Toxoplasma gondii	acetyl-coA carboxylase ACC2	Get druggable targets OG5_127493	All targets in OG5_127493
Schistosoma japonicum	ko:K01946 biotin carboxylase [EC6.3.4.14], putative	Get druggable targets OG5_127493	All targets in OG5_127493
Neospora caninum	hypothetical protein	Get druggable targets OG5_127493	All targets in OG5_127493
Schistosoma japonicum	Acetyl-CoA carboxylase, putative	Get druggable targets OG5_127493	All targets in OG5_127493
Trypanosoma congolense	acetyl-CoA carboxylase	Get druggable targets OG5_127493	All targets in OG5_127493
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_127493	All targets in OG5_127493
Brugia malayi	Carboxyl transferase domain containing protein	Get druggable targets OG5_127493	All targets in OG5_127493
Plasmodium yoelii	acetyl-CoA carboxylase 1 precursor-related	Get druggable targets OG5_127493	All targets in OG5_127493
Leishmania braziliensis	acetyl-CoA carboxylase, putative	Get druggable targets OG5_127493	All targets in OG5_127493
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	Get druggable targets OG5_127493	All targets in OG5_127493

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
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0048	0.0023	0.0011
Mycobacterium tuberculosis	Probable glycosyltransferase	0.0039	0.0013	0.0001
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0117	0.0103	0.154
Mycobacterium tuberculosis	Probable dehydrogenase	0.0115	0.01	0.0088
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	0.0042	0.0632
Echinococcus granulosus	acetyl coenzyme A carboxylase 1	0.0101	0.0085	0.1271
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0115	0.01	0.0088
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0075	0.0054	0.342
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0127	0.0115	0.0103
Onchocerca volvulus		0.0164	0.0158	0.2363
Giardia lamblia	Nitric oxide synthase, inducible	0.0066	0.0044	0.3868
Echinococcus granulosus	translocator protein	0.0606	0.067	1
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0165	0.0159	1
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0029	0.0001	0.001
Plasmodium vivax	N-acetylglucosamine-1-phosphate transferase, putative	0.0034	0.0007	0.0438
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0003	0.0045
Schistosoma mansoni	sodium/chloride dependent transporter	0.0164	0.0158	0.2363
Trypanosoma cruzi	cysteinyl-tRNA synthetase, putative	0.0126	0.0114	0.7177
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0075	0.0054	0.3399
Echinococcus granulosus	propionyl coenzyme A carboxylase alpha chain	0.0039	0.0012	0.0185
Leishmania major	acetyl-CoA carboxylase, putative	0.0101	0.0085	0.5359
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0064	0.0042	0.003
Echinococcus multilocularis	propionyl coenzyme A carboxylase alpha chain	0.0039	0.0012	0.0185
Mycobacterium tuberculosis	Probable UPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG	0.0137	0.0126	0.0114
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0004	0.0065
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.0126	0.0114	0.0107
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0165	0.0159	1
Trypanosoma cruzi	trypanothione reductase, putative	0.005	0.0026	0.1604
Echinococcus multilocularis	thymidylate synthase	0.0117	0.0103	0.154
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	0.0042	0.0632
Toxoplasma gondii	aldehyde dehydrogenase	0.0064	0.0042	0.2673
Entamoeba histolytica	type A flavoprotein, putative	0.0029	0.0001	0.0022
Brugia malayi	flavodoxin family protein	0.0029	0.0001	0.0011
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.0101	0.0085	0.5373
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0029	0.0001	0.0016
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0056	0.0032	0.2002
Trypanosoma cruzi	NADPH--cytochrome P450 reductase, putative	0.0029	0.0001	0.0016
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0066	0.0044	0.1696
Brugia malayi	Carboxyl transferase domain containing protein	0.0098	0.0081	0.1209
Schistosoma mansoni	pyruvate carboxylase	0.0039	0.0012	0.0185
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0039	0.0012	0.0185
Toxoplasma gondii	glycosyl transferase, group 4 family protein	0.0034	0.0007	0.0438
Leishmania major	cysteinyl-tRNA synthetase, putative	0.0126	0.0114	0.7177
Loa Loa (eye worm)	hypothetical protein	0.0164	0.0158	0.2363
Entamoeba histolytica	type A flavoprotein, putative	0.0029	0.0001	0.0022
Mycobacterium ulcerans	bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3	0.0039	0.0012	0.0005
Plasmodium vivax	thioredoxin reductase, putative	0.005	0.0026	0.163
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.0046	0.0021	0.0315
Leishmania major	cytochrome P450 reductase, putative	0.0066	0.0044	0.2776
Brugia malayi	flavodoxin family protein	0.0075	0.0054	0.0809
Echinococcus multilocularis	serotonin transporter	0.0164	0.0158	0.2363
Trypanosoma brucei	trypanothione reductase	0.005	0.0026	0.1604
Echinococcus granulosus	dihydrofolate reductase	0.0048	0.0023	0.0342
Trypanosoma cruzi	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0034	0.0007	0.0408
Leishmania major	hypothetical protein, conserved	0.0029	0.0001	0.0016
Brugia malayi	glutathione reductase	0.005	0.0026	0.0385
Onchocerca volvulus		0.0126	0.0114	0.17
Onchocerca volvulus		0.0034	0.0007	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0054	0.0809
Plasmodium vivax	cysteine--tRNA ligase, putative	0.0126	0.0114	0.7186
Mycobacterium ulcerans	glycosyltransferase	0.0039	0.0013	0.0006
Chlamydia trachomatis	cysteine--tRNA ligase	0.0126	0.0114	0.352
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0073	0.0053	0.3324
Loa Loa (eye worm)	hypothetical protein	0.0606	0.067	1
Leishmania major	p450 reductase, putative	0.0075	0.0054	0.3399
Brugia malayi	Pre-SET motif family protein	0.0221	0.0224	0.334
Trypanosoma cruzi	cysteinyl-tRNA synthetase, putative	0.0126	0.0114	0.7177
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0029	0.0001	0.001
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0165	0.0159	1
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2	0.0039	0.0012	0.0005
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0117	0.0103	0.0091
Mycobacterium tuberculosis	Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC	0.8651	1	1
Schistosoma mansoni	cysteinyl-tRNA synthetase	0.0126	0.0114	0.17
Plasmodium falciparum	NADPH--cytochrome P450 reductase, putative	0.0029	0.0001	0.0047
Loa Loa (eye worm)	thioredoxin reductase	0.005	0.0026	0.0385
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.0101	0.0085	0.5373
Loa Loa (eye worm)	norepinephrine transporter	0.0164	0.0158	0.2363
Echinococcus multilocularis	UDP N acetylglucosamine dolichyl phosphate	0.0034	0.0007	0.0104
Loa Loa (eye worm)	flavodoxin family protein	0.0029	0.0001	0.0011
Plasmodium vivax	glutathione reductase, putative	0.005	0.0026	0.163
Trypanosoma cruzi	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0034	0.0007	0.0408
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0029	0.0001	0.0016
Echinococcus multilocularis	translocator protein	0.0606	0.067	1
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0075	0.0054	0.3399
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0039	0.0012	0.0754
Plasmodium vivax	flavodoxin domain containing protein	0.0066	0.0044	0.2799
Plasmodium falciparum	thioredoxin reductase	0.005	0.0026	0.163
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0075	0.0054	0.0047
Plasmodium falciparum	glutathione reductase	0.005	0.0026	0.163
Trichomonas vaginalis	sulfite reductase, putative	0.0075	0.0054	0.2076
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.0042	0.0035
Chlamydia trachomatis	dihydrofolate reductase	0.0048	0.0023	0.0708
Leishmania major	methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein	0.0039	0.0012	0.0754
Brugia malayi	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase	0.0034	0.0007	0.0104
Schistosoma mansoni	dihydrofolate reductase	0.0048	0.0023	0.0342
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0048	0.0023	0.0016
Brugia malayi	Flap endonuclease-1	0.0028	0	0.0007
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0165	0.0159	1
Echinococcus multilocularis	flap endonuclease 1	0.0028	0	0.0007
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0164	0.0158	0.2363
Echinococcus granulosus	flap endonuclease 1	0.0028	0	0.0007
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.0101	0.0085	0.1271
Brugia malayi	Pre-SET motif family protein	0.0032	0.0004	0.0065
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0032	0.1223
Giardia lamblia	Cysteinyl-tRNA synthetase	0.0126	0.0114	1
Mycobacterium leprae	Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX	0.0808	0.0904	0.0893
Leishmania major	trypanothione reductase	0.005	0.0026	0.1604
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.0004	0.0065
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0127	0.0115	0.0103
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0075	0.0054	0.0809
Plasmodium vivax	flap endonuclease 1, putative	0.0028	0	0.0031
Mycobacterium tuberculosis	Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX	0.0808	0.0904	0.0893
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0064	0.0042	0.0632
Echinococcus multilocularis	methionine synthase reductase	0.0046	0.0021	0.0315
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0164	0.0158	0.2363
Loa Loa (eye worm)	serotonin transporter b	0.0164	0.0158	0.2363
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0007	0.0104
Plasmodium falciparum	cysteine--tRNA ligase	0.0126	0.0114	0.7186
Chlamydia trachomatis	sulfite reductase	0.0046	0.0021	0.0652
Trypanosoma brucei	acetyl-CoA carboxylase	0.0101	0.0085	0.5359
Brugia malayi	Thioredoxin reductase	0.005	0.0026	0.0385
Brugia malayi	dihydrofolate reductase family protein	0.0048	0.0023	0.0342
Mycobacterium ulcerans	pyruvate carboxylase	0.0039	0.0012	0.0005
Chlamydia trachomatis	biotin carboxylase	0.0035	0.0008	0.0256
Schistosoma mansoni	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase	0.0034	0.0007	0.0104
Brugia malayi	TspO/MBR family protein	0.0606	0.067	1
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0075	0.0054	0.0809
Onchocerca volvulus		0.0251	0.0259	0.3868
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0115	0.01	0.0088
Trichomonas vaginalis	cysteinyl-tRNA synthetase, putative	0.0126	0.0114	0.4384
Mycobacterium ulcerans	undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase	0.0186	0.0184	0.0177
Onchocerca volvulus		0.0606	0.067	1
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0028	0	0.0031
Giardia lamblia	Hypothetical protein	0.0066	0.0044	0.3868
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.0042	0.0035
Plasmodium falciparum	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0029	0.0001	0.0047
Trichomonas vaginalis	glucosaminephosphotransferase, putative	0.0034	0.0007	0.0249
Treponema pallidum	cysteinyl-tRNA synthetase	0.0126	0.0114	0.3505
Giardia lamblia	UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase	0.0034	0.0007	0.0569
Trypanosoma brucei	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0034	0.0007	0.0408
Plasmodium falciparum	nitric oxide synthase, putative	0.0075	0.0054	0.342
Plasmodium falciparum	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0034	0.0007	0.0438
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0039	0.0012	0.0754
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0115	0.01	0.0088
Toxoplasma gondii	pyruvate carboxylase	0.0039	0.0012	0.0782
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0048	0.0023	0.0011
Echinococcus granulosus	UDP N acetylglucosamine dolichyl phosphate	0.0034	0.0007	0.0104
Schistosoma mansoni	NADPH flavin oxidoreductase	0.0038	0.0011	0.0168
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0075	0.0054	0.3399
Onchocerca volvulus		0.0606	0.067	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0115	0.01	0.0088
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0075	0.0054	0.3399
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0075	0.0054	0.3399
Trypanosoma cruzi	acetyl-CoA carboxylase	0.0063	0.004	0.2525
Trypanosoma cruzi	p450 reductase, putative	0.0075	0.0054	0.3399
Onchocerca volvulus		0.0606	0.067	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0127	0.0115	0.0103
Wolbachia endosymbiont of Brugia malayi	phospho-N-acetylmuramoyl-pentapeptide-transferase	0.0808	0.0904	1
Schistosoma mansoni	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase	0.0034	0.0007	0.0104
Entamoeba histolytica	type A flavoprotein, putative	0.0029	0.0001	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0606	0.067	1
Brugia malayi	cysteinyl tRNA synthetase protein 1	0.0126	0.0114	0.17
Mycobacterium ulcerans	thymidylate synthase	0.0117	0.0103	0.0096
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0064	0.0042	0.0632
Treponema pallidum	sodium- and chloride- dependent transporter	0.0164	0.0158	0.4881
Entamoeba histolytica	cysteinyl-tRNA synthetase, putative	0.0126	0.0114	1
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0046	0.0021	0.0315
Brugia malayi	FAD binding domain containing protein	0.0075	0.0054	0.0809
Chlamydia trachomatis	phospho-N-acetylmuramoyl-pentapeptide-transferase	0.0307	0.0324	1
Schistosoma mansoni	cytochrome P450 reductase	0.0075	0.0054	0.0809
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0075	0.0054	0.3399
Entamoeba histolytica	type A flavoprotein, putative	0.0029	0.0001	0.0022
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0004	0.0065
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.0004	0.0276
Brugia malayi	hypothetical protein	0.0245	0.0251	0.3749
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0117	0.0103	0.0091
Schistosoma mansoni	diflavin oxidoreductase	0.0037	0.0011	0.0158
Echinococcus multilocularis	dihydrofolate reductase	0.0048	0.0023	0.0342
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0004	0.0065
Echinococcus granulosus	cysteinyl tRNA synthetase	0.0126	0.0114	0.17
Onchocerca volvulus		0.0032	0.0004	0.0065
Echinococcus granulosus	methionine synthase reductase	0.0046	0.0021	0.0315
Echinococcus granulosus	serotonin transporter	0.0164	0.0158	0.2363
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.0004	0.0065
Echinococcus granulosus	thioredoxin glutathione reductase	0.005	0.0026	0.0385
Brugia malayi	FAD binding domain containing protein	0.0046	0.0021	0.0315
Mycobacterium tuberculosis	Probable glycosyltransferase	0.0039	0.0013	0.0001
Toxoplasma gondii	cysteine-tRNA synthetase (CysRS)	0.0126	0.0114	0.7186
Echinococcus granulosus	thymidylate synthase	0.0117	0.0103	0.154
Trypanosoma brucei	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0029	0.0001	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0164	0.0158	0.2363
Chlamydia trachomatis	UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase	0.0186	0.0184	0.5679
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0039	0.0012	0.0754
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0075	0.0054	0.0809
Loa Loa (eye worm)	flap endonuclease-1	0.0028	0	0.0007
Treponema pallidum	undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase	0.0186	0.0184	0.567
Loa Loa (eye worm)	hypothetical protein	0.0126	0.0114	0.17
Toxoplasma gondii	flavodoxin domain-containing protein	0.0037	0.0011	0.0668
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.005	0.0026	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0164	0.0158	0.2363
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0075	0.0054	0.3399
Mycobacterium leprae	ProbableUPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide)pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG	0.0137	0.0126	0.0114
Leishmania major	carboxylase, putative	0.0039	0.0012	0.0754
Trypanosoma brucei	cysteinyl-tRNA synthetase, putative	0.0126	0.0114	0.7177
Plasmodium falciparum	flap endonuclease 1	0.0028	0	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0004	0.0065
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0039	0.0012	0.0754
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0064	0.0042	0.265
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1	0.0039	0.0012	0.0005
Onchocerca volvulus		0.0606	0.067	1
Plasmodium vivax	SET domain protein, putative	0.0032	0.0004	0.0276
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylglucosamine:LPS N-acetylglucosamine transferase	0.0186	0.0184	0.1922
Mycobacterium ulcerans	tryptophan-rich sensory protein	0.0606	0.067	0.0664
Toxoplasma gondii	flavodoxin domain-containing protein	0.0037	0.0011	0.0668
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.0098	0.0081	0.1209
Brugia malayi	Dihydrofolate reductase	0.0048	0.0023	0.0342
Treponema pallidum	phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY)	0.0307	0.0324	1
Echinococcus multilocularis	cysteinyl tRNA synthetase	0.0126	0.0114	0.17
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0127	0.0115	0.0103
Schistosoma mansoni	acetyl-CoA carboxylase	0.0101	0.0085	0.1271
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0221	0.0224	0.334
Echinococcus multilocularis	thioredoxin glutathione reductase	0.005	0.0026	0.0385
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0004	0.0065
Mycobacterium leprae	Probable glycosyltransferase	0.0039	0.0013	0.0001
Brugia malayi	thymidylate synthase	0.0117	0.0103	0.154
Mycobacterium ulcerans	phospho-N-acetylmuramoyl-pentapeptide-transferase	0.0808	0.0904	0.0898
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0165	0.0159	1
Brugia malayi	hypothetical protein	0.0056	0.0032	0.0479
Entamoeba histolytica	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0034	0.0007	0.0569
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0029	0.0001	0.001
Leishmania major	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0034	0.0007	0.0408
Schistosoma mansoni	peripheral-type benzodiazepine receptor	0.0606	0.067	1
Loa Loa (eye worm)	cysteinyl tRNA synthetase 1	0.0126	0.0114	0.17
Wolbachia endosymbiont of Brugia malayi	cysteinyl-tRNA synthetase	0.0126	0.0114	0.1138
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0165	0.0159	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0004	0.0065
Trichomonas vaginalis	set domain proteins, putative	0.0251	0.0259	1
Loa Loa (eye worm)	glutathione reductase	0.005	0.0026	0.0385
Onchocerca volvulus		0.0117	0.0103	0.154
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0001	0.0047
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0164	0.0158	0.2363
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0075	0.0054	0.3399
Toxoplasma gondii	thioredoxin reductase	0.005	0.0026	0.163
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0029	0.0001	0.001
Mycobacterium tuberculosis	Probable reductase	0.0115	0.01	0.0088
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0075	0.0054	0.0809
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0039	0.0012	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0606	0.067	1
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0073	0.0053	0.3324
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.0042	0.0035
Entamoeba histolytica	type A flavoprotein, putative	0.0029	0.0001	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0606	0.067	1
Echinococcus granulosus	leucyl tRNA synthetase	0.0126	0.0114	0.17
Schistosoma mansoni	cysteinyl-tRNA synthetase	0.0126	0.0114	0.17
Plasmodium falciparum	cysteine--tRNA ligase	0.0126	0.0114	0.7186
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.8651	1	1
Loa Loa (eye worm)	thymidylate synthase	0.0117	0.0103	0.154
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0115	0.01	0.0088
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0075	0.0054	0.0809
Loa Loa (eye worm)	dihydrofolate reductase	0.0048	0.0023	0.0342
Mycobacterium tuberculosis	Hypothetical protein	0.0056	0.0032	0.002

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 995 nM	BindingDB_Patents: Spectrophotometric 384 Well Assay. Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked kinetic method measuring ADP generated during the ACC reaction using a coupled lactate dehydrogenase/pyruvate kinase reaction.For biological testing, a human ACC2 construct which lacks the 128 amino acids at the N-terminus for increased solubility (nt 385-6966 in Genbank entry AJ575592) is cloned. The protein is then expressed in insect cells using a baculoviral expression system. Protein purification is performed by anion exchange.All compounds are dissolved in dimethyl sulfoxide (DMSO) to a concentration of 10 mM.Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tris (pH 7.5), 10 mM trisodium citrate, 25 mM KHCO3, 10 mM MgCl2, 0.5 mg/mL BSA, 3.75 mM reduced L-glutathione, 15 U/mL lactate dehydrogenase, 0.5 mM phosphoenolpyruvate.	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.

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External resources for this compound

ChEMBL: CHEMBL3667126

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1984056