TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 433.932 | Formula: C21H28ClN5O3
H donors: 2 H acceptors: 4 LogP: 2.44 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: OCCN(c1ncc(c(n1)N1CC[C@H](C1)Oc1ccc(cc1)[C@@H](NC(=O)C)C)Cl)C
InChi: 1S/C21H28ClN5O3/c1-14(24-15(2)29)16-4-6-17(7-5-16)30-18-8-9-27(13-18)20-19(22)12-23-21(25-20)26(3)10-11-28/h4-7,12,14,18,28H,8-11,13H2,1-3H3,(H,24,29)/t14-,18+/m0/s1
InChiKey: AYFDHLRVDBKPCU-KBXCAEBGSA-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
Schistosoma japonicum	Acetyl-CoA carboxylase, 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
Trypanosoma congolense	acetyl-CoA carboxylase	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
Toxoplasma gondii	acetyl-coA carboxylase ACC2	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
Trypanosoma brucei gambiense	acetyl-CoA carboxylase, putative	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
Echinococcus granulosus	acetyl coenzyme A carboxylase 1	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 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 falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	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 yoelii	acetyl-CoA carboxylase 1 precursor-related	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
Schistosoma japonicum	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
Cryptosporidium hominis	acetyl-CoA carboxylase 2	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
Leishmania donovani	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 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
Neospora caninum	hypothetical protein	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
Schistosoma mansoni	acetyl-CoA carboxylase	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
Leishmania mexicana	acetyl-CoA carboxylase, putative	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
Candida albicans	acetyl-CoA carboxylase	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
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0066	0.0044	0.1696
Trypanosoma cruzi	NADPH--cytochrome P450 reductase, putative	0.0029	0.0001	0.0016
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0056	0.0032	0.2002
Toxoplasma gondii	glycosyl transferase, group 4 family protein	0.0034	0.0007	0.0438
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0039	0.0012	0.0185
Schistosoma mansoni	pyruvate carboxylase	0.0039	0.0012	0.0185
Brugia malayi	Carboxyl transferase domain containing protein	0.0098	0.0081	0.1209
Mycobacterium ulcerans	bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3	0.0039	0.0012	0.0005
Entamoeba histolytica	type A flavoprotein, putative	0.0029	0.0001	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0164	0.0158	0.2363
Leishmania major	cysteinyl-tRNA synthetase, putative	0.0126	0.0114	0.7177
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.0046	0.0021	0.0315
Plasmodium vivax	thioredoxin reductase, putative	0.005	0.0026	0.163
Echinococcus granulosus	dihydrofolate reductase	0.0048	0.0023	0.0342
Echinococcus multilocularis	serotonin transporter	0.0164	0.0158	0.2363
Trypanosoma brucei	trypanothione reductase	0.005	0.0026	0.1604
Brugia malayi	flavodoxin family protein	0.0075	0.0054	0.0809
Leishmania major	cytochrome P450 reductase, putative	0.0066	0.0044	0.2776
Trypanosoma cruzi	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0034	0.0007	0.0408
Plasmodium vivax	cysteine--tRNA ligase, putative	0.0126	0.0114	0.7186
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0054	0.0809
Onchocerca volvulus		0.0126	0.0114	0.17
Onchocerca volvulus		0.0034	0.0007	0.0104
Leishmania major	hypothetical protein, conserved	0.0029	0.0001	0.0016
Brugia malayi	glutathione reductase	0.005	0.0026	0.0385
Brugia malayi	Pre-SET motif family protein	0.0221	0.0224	0.334
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0073	0.0053	0.3324
Chlamydia trachomatis	cysteine--tRNA ligase	0.0126	0.0114	0.352
Leishmania major	p450 reductase, putative	0.0075	0.0054	0.3399
Loa Loa (eye worm)	hypothetical protein	0.0606	0.067	1
Mycobacterium ulcerans	glycosyltransferase	0.0039	0.0013	0.0006
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0117	0.0103	0.154
Mycobacterium tuberculosis	Probable glycosyltransferase	0.0039	0.0013	0.0001
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0048	0.0023	0.0011
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0075	0.0054	0.342
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0115	0.01	0.0088
Echinococcus granulosus	acetyl coenzyme A carboxylase 1	0.0101	0.0085	0.1271
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	0.0042	0.0632
Mycobacterium tuberculosis	Probable dehydrogenase	0.0115	0.01	0.0088
Giardia lamblia	Nitric oxide synthase, inducible	0.0066	0.0044	0.3868
Onchocerca volvulus		0.0164	0.0158	0.2363
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0127	0.0115	0.0103
Trypanosoma cruzi	cysteinyl-tRNA synthetase, putative	0.0126	0.0114	0.7177
Schistosoma mansoni	sodium/chloride dependent transporter	0.0164	0.0158	0.2363
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0003	0.0045
Plasmodium vivax	N-acetylglucosamine-1-phosphate transferase, putative	0.0034	0.0007	0.0438
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0029	0.0001	0.001
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0165	0.0159	1
Echinococcus granulosus	translocator protein	0.0606	0.067	1
Mycobacterium tuberculosis	Probable UPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG	0.0137	0.0126	0.0114
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
Leishmania major	acetyl-CoA carboxylase, putative	0.0101	0.0085	0.5359
Echinococcus granulosus	propionyl coenzyme A carboxylase alpha chain	0.0039	0.0012	0.0185
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0075	0.0054	0.3399
Echinococcus multilocularis	thymidylate synthase	0.0117	0.0103	0.154
Trypanosoma cruzi	trypanothione reductase, putative	0.005	0.0026	0.1604
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0165	0.0159	1
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.0126	0.0114	0.0107
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0004	0.0065
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.0101	0.0085	0.5373
Brugia malayi	flavodoxin family protein	0.0029	0.0001	0.0011
Entamoeba histolytica	type A flavoprotein, putative	0.0029	0.0001	0.0022
Toxoplasma gondii	aldehyde dehydrogenase	0.0064	0.0042	0.2673
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	0.0042	0.0632
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0029	0.0001	0.0016
Chlamydia trachomatis	dihydrofolate reductase	0.0048	0.0023	0.0708
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.0042	0.0035
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
Leishmania major	methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein	0.0039	0.0012	0.0754
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0048	0.0023	0.0016
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.0101	0.0085	0.1271
Echinococcus granulosus	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 multilocularis	flap endonuclease 1	0.0028	0	0.0007
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0165	0.0159	1
Brugia malayi	Flap endonuclease-1	0.0028	0	0.0007
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0032	0.1223
Giardia lamblia	Cysteinyl-tRNA synthetase	0.0126	0.0114	1
Brugia malayi	Pre-SET motif family protein	0.0032	0.0004	0.0065
Mycobacterium tuberculosis	Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX	0.0808	0.0904	0.0893
Plasmodium vivax	flap endonuclease 1, putative	0.0028	0	0.0031
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0075	0.0054	0.0809
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0127	0.0115	0.0103
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.0004	0.0065
Leishmania major	trypanothione reductase	0.005	0.0026	0.1604
Mycobacterium leprae	Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX	0.0808	0.0904	0.0893
Plasmodium falciparum	cysteine--tRNA ligase	0.0126	0.0114	0.7186
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0007	0.0104
Loa Loa (eye worm)	serotonin transporter b	0.0164	0.0158	0.2363
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0164	0.0158	0.2363
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0064	0.0042	0.0632
Echinococcus multilocularis	methionine synthase reductase	0.0046	0.0021	0.0315
Mycobacterium ulcerans	pyruvate carboxylase	0.0039	0.0012	0.0005
Brugia malayi	dihydrofolate reductase family protein	0.0048	0.0023	0.0342
Brugia malayi	Thioredoxin reductase	0.005	0.0026	0.0385
Trypanosoma brucei	acetyl-CoA carboxylase	0.0101	0.0085	0.5359
Chlamydia trachomatis	sulfite reductase	0.0046	0.0021	0.0652
Trypanosoma cruzi	cysteinyl-tRNA synthetase, putative	0.0126	0.0114	0.7177
Schistosoma mansoni	cysteinyl-tRNA synthetase	0.0126	0.0114	0.17
Mycobacterium tuberculosis	Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC	0.8651	1	1
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0117	0.0103	0.0091
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2	0.0039	0.0012	0.0005
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0165	0.0159	1
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0029	0.0001	0.001
Echinococcus multilocularis	UDP N acetylglucosamine dolichyl phosphate	0.0034	0.0007	0.0104
Loa Loa (eye worm)	norepinephrine transporter	0.0164	0.0158	0.2363
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.0101	0.0085	0.5373
Loa Loa (eye worm)	thioredoxin reductase	0.005	0.0026	0.0385
Plasmodium falciparum	NADPH--cytochrome P450 reductase, putative	0.0029	0.0001	0.0047
Trypanosoma cruzi	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0034	0.0007	0.0408
Plasmodium vivax	glutathione reductase, putative	0.005	0.0026	0.163
Loa Loa (eye worm)	flavodoxin family protein	0.0029	0.0001	0.0011
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0029	0.0001	0.0016
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0039	0.0012	0.0754
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0075	0.0054	0.3399
Echinococcus multilocularis	translocator protein	0.0606	0.067	1
Trichomonas vaginalis	sulfite reductase, putative	0.0075	0.0054	0.2076
Plasmodium falciparum	glutathione reductase	0.005	0.0026	0.163
Plasmodium falciparum	thioredoxin reductase	0.005	0.0026	0.163
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0075	0.0054	0.0047
Plasmodium vivax	flavodoxin domain containing protein	0.0066	0.0044	0.2799
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
Mycobacterium tuberculosis	Probable oxidoreductase	0.0127	0.0115	0.0103
Onchocerca volvulus		0.0606	0.067	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0064	0.0042	0.0632
Mycobacterium ulcerans	thymidylate synthase	0.0117	0.0103	0.0096
Brugia malayi	cysteinyl tRNA synthetase protein 1	0.0126	0.0114	0.17
Loa Loa (eye worm)	hypothetical protein	0.0606	0.067	1
Entamoeba histolytica	type A flavoprotein, putative	0.0029	0.0001	0.0022
Chlamydia trachomatis	phospho-N-acetylmuramoyl-pentapeptide-transferase	0.0307	0.0324	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
Entamoeba histolytica	cysteinyl-tRNA synthetase, putative	0.0126	0.0114	1
Treponema pallidum	sodium- and chloride- dependent transporter	0.0164	0.0158	0.4881
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0075	0.0054	0.3399
Schistosoma mansoni	cytochrome P450 reductase	0.0075	0.0054	0.0809
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
Entamoeba histolytica	type A flavoprotein, putative	0.0029	0.0001	0.0022
Schistosoma mansoni	diflavin oxidoreductase	0.0037	0.0011	0.0158
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0117	0.0103	0.0091
Brugia malayi	hypothetical protein	0.0245	0.0251	0.3749
Echinococcus granulosus	methionine synthase reductase	0.0046	0.0021	0.0315
Onchocerca volvulus		0.0032	0.0004	0.0065
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0004	0.0065
Echinococcus granulosus	cysteinyl tRNA synthetase	0.0126	0.0114	0.17
Echinococcus multilocularis	dihydrofolate reductase	0.0048	0.0023	0.0342
Mycobacterium tuberculosis	Probable glycosyltransferase	0.0039	0.0013	0.0001
Brugia malayi	FAD binding domain containing protein	0.0046	0.0021	0.0315
Toxoplasma gondii	cysteine-tRNA synthetase (CysRS)	0.0126	0.0114	0.7186
Echinococcus granulosus	thioredoxin glutathione reductase	0.005	0.0026	0.0385
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.0004	0.0065
Echinococcus granulosus	serotonin transporter	0.0164	0.0158	0.2363
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0075	0.0054	0.0809
Brugia malayi	TspO/MBR family protein	0.0606	0.067	1
Schistosoma mansoni	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase	0.0034	0.0007	0.0104
Chlamydia trachomatis	biotin carboxylase	0.0035	0.0008	0.0256
Mycobacterium ulcerans	undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase	0.0186	0.0184	0.0177
Trichomonas vaginalis	cysteinyl-tRNA synthetase, putative	0.0126	0.0114	0.4384
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0115	0.01	0.0088
Onchocerca volvulus		0.0251	0.0259	0.3868
Trichomonas vaginalis	glucosaminephosphotransferase, putative	0.0034	0.0007	0.0249
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
Giardia lamblia	Hypothetical protein	0.0066	0.0044	0.3868
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0028	0	0.0031
Onchocerca volvulus		0.0606	0.067	1
Giardia lamblia	UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase	0.0034	0.0007	0.0569
Treponema pallidum	cysteinyl-tRNA synthetase	0.0126	0.0114	0.3505
Plasmodium falciparum	nitric oxide synthase, putative	0.0075	0.0054	0.342
Trypanosoma brucei	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0034	0.0007	0.0408
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0115	0.01	0.0088
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0039	0.0012	0.0754
Plasmodium falciparum	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0034	0.0007	0.0438
Onchocerca volvulus		0.0606	0.067	1
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0075	0.0054	0.3399
Schistosoma mansoni	NADPH flavin oxidoreductase	0.0038	0.0011	0.0168
Echinococcus granulosus	UDP N acetylglucosamine dolichyl phosphate	0.0034	0.0007	0.0104
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0048	0.0023	0.0011
Toxoplasma gondii	pyruvate carboxylase	0.0039	0.0012	0.0782
Trypanosoma cruzi	p450 reductase, putative	0.0075	0.0054	0.3399
Trypanosoma cruzi	acetyl-CoA carboxylase	0.0063	0.004	0.2525
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0075	0.0054	0.3399
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0075	0.0054	0.3399
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0115	0.01	0.0088
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
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
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0165	0.0159	1
Mycobacterium ulcerans	phospho-N-acetylmuramoyl-pentapeptide-transferase	0.0808	0.0904	0.0898
Onchocerca volvulus		0.0117	0.0103	0.154
Loa Loa (eye worm)	glutathione reductase	0.005	0.0026	0.0385
Trichomonas vaginalis	set domain proteins, putative	0.0251	0.0259	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0004	0.0065
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	peripheral-type benzodiazepine receptor	0.0606	0.067	1
Loa Loa (eye worm)	cysteinyl tRNA synthetase 1	0.0126	0.0114	0.17
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0001	0.0047
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0164	0.0158	0.2363
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
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0075	0.0054	0.0809
Mycobacterium tuberculosis	Probable reductase	0.0115	0.01	0.0088
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0029	0.0001	0.001
Toxoplasma gondii	thioredoxin reductase	0.005	0.0026	0.163
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0075	0.0054	0.3399
Echinococcus granulosus	leucyl tRNA synthetase	0.0126	0.0114	0.17
Loa Loa (eye worm)	hypothetical protein	0.0606	0.067	1
Entamoeba histolytica	type A flavoprotein, putative	0.0029	0.0001	0.0022
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.0042	0.0035
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0115	0.01	0.0088
Loa Loa (eye worm)	thymidylate synthase	0.0117	0.0103	0.154
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.8651	1	1
Plasmodium falciparum	cysteine--tRNA ligase	0.0126	0.0114	0.7186
Schistosoma mansoni	cysteinyl-tRNA synthetase	0.0126	0.0114	0.17
Mycobacterium tuberculosis	Hypothetical protein	0.0056	0.0032	0.002
Loa Loa (eye worm)	dihydrofolate reductase	0.0048	0.0023	0.0342
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0075	0.0054	0.0809
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0039	0.0012	0.0754
Chlamydia trachomatis	UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase	0.0186	0.0184	0.5679
Loa Loa (eye worm)	hypothetical protein	0.0164	0.0158	0.2363
Trypanosoma brucei	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0029	0.0001	0.0016
Echinococcus granulosus	thymidylate synthase	0.0117	0.0103	0.154
Treponema pallidum	undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase	0.0186	0.0184	0.567
Loa Loa (eye worm)	flap endonuclease-1	0.0028	0	0.0007
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0075	0.0054	0.0809
Trypanosoma brucei	cysteinyl-tRNA synthetase, putative	0.0126	0.0114	0.7177
Leishmania major	carboxylase, putative	0.0039	0.0012	0.0754
Mycobacterium leprae	ProbableUPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide)pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG	0.0137	0.0126	0.0114
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0075	0.0054	0.3399
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
Toxoplasma gondii	flavodoxin domain-containing protein	0.0037	0.0011	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0126	0.0114	0.17
Onchocerca volvulus		0.0606	0.067	1
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1	0.0039	0.0012	0.0005
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0064	0.0042	0.265
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0039	0.0012	0.0754
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0004	0.0065
Plasmodium falciparum	flap endonuclease 1	0.0028	0	0.0031
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
Plasmodium vivax	SET domain protein, putative	0.0032	0.0004	0.0276
Treponema pallidum	phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY)	0.0307	0.0324	1
Brugia malayi	Dihydrofolate reductase	0.0048	0.0023	0.0342
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.0098	0.0081	0.1209
Toxoplasma gondii	flavodoxin domain-containing protein	0.0037	0.0011	0.0668
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0127	0.0115	0.0103
Echinococcus multilocularis	cysteinyl tRNA synthetase	0.0126	0.0114	0.17
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0004	0.0065
Brugia malayi	thymidylate synthase	0.0117	0.0103	0.154
Mycobacterium leprae	Probable glycosyltransferase	0.0039	0.0013	0.0001
Echinococcus multilocularis	thioredoxin glutathione reductase	0.005	0.0026	0.0385
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0221	0.0224	0.334
Schistosoma mansoni	acetyl-CoA carboxylase	0.0101	0.0085	0.1271

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1035 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: CHEMBL3667109

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1979850