TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 401.478 | Formula: C21H28FN5O2
H donors: 2 H acceptors: 3 LogP: 3.35 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCCNc1ncc(c(n1)N1CC[C@H](C1)Oc1ccc(cc1)[C@@H](NC(=O)C)C)F
InChi: 1S/C21H28FN5O2/c1-4-10-23-21-24-12-19(22)20(26-21)27-11-9-18(13-27)29-17-7-5-16(6-8-17)14(2)25-15(3)28/h5-8,12,14,18H,4,9-11,13H2,1-3H3,(H,25,28)(H,23,24,26)/t14-,18+/m0/s1
InChiKey: ZQIBRZSCHCHZRQ-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
Trypanosoma brucei gambiense	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
Plasmodium yoelii	acetyl-CoA carboxylase 1 precursor-related	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 japonicum	hypothetical protein	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
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
Plasmodium falciparum	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 ACC2	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
Leishmania infantum	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
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
Cryptosporidium hominis	acetyl-CoA carboxylase 2	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
Cryptosporidium parvum	acetyl-CoA carboxylase like biotin dependent carboxylase involved in fatty acid biosynthesis	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
Trypanosoma cruzi	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
Leishmania mexicana	acetyl-CoA carboxylase, putative	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 braziliensis	acetyl-CoA carboxylase, putative	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
Candida albicans	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
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	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	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
Trichomonas vaginalis	heat shock protein, putative	0.0051	0.1113	0.2525
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0838	0.1315
Trichomonas vaginalis	inositol monophosphatase, putative	0.0043	0.0849	0.1483
Trichomonas vaginalis	heat shock protein, putative	0.0039	0.0731	0.1021
Schistosoma mansoni	memapsin-2 (A01 family)	0.0026	0.0275	0.0231
Entamoeba histolytica	heat shock protein 90, putative	0.0054	0.1224	1
Trichomonas vaginalis	endoplasmin, putative	0.0039	0.0731	0.1021
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.034	0.107
Echinococcus multilocularis	heat shock protein 90	0.0046	0.0964	0.1524
Brugia malayi	Pax transcription factor protein 2	0.0285	0.8861	1
Leishmania major	heat shock protein 83-1	0.0054	0.1224	0.4299
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0059	0.1382	0.1515
Echinococcus multilocularis	heat shock protein 90	0.0054	0.1224	0.1955
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0416	0.2528
Schistosoma mansoni	heat shock protein	0.0036	0.0621	0.0578
Plasmodium falciparum	plasmepsin I	0.0108	0.3013	0.4794
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0039	0.0706	0.2408
Leishmania major	heat shock protein 83-1	0.0054	0.1224	0.4299
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0072	0.0235
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0043	0.0849	0.6936
Echinococcus granulosus	heat shock protein	0.0054	0.1224	0.1955
Schistosoma mansoni	cathepsin D (A01 family)	0.0319	1	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.034	0.107
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0109	0.0072
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.034	0.0333
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0026	0.0275	0.0231
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.1221	0.195
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0059	0.1382	0.1515
Giardia lamblia	Grp94/Hsp90	0.0051	0.1113	0.9098
Schistosoma mansoni	endoplasmin	0.0054	0.1224	0.1183
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.034	0.2297
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0028	0.034	0.2777
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0416	0.2528
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0109	0.0072
Loa Loa (eye worm)	heat shock protein 75	0.0036	0.0621	0.0652
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0073	0.1857	0.2925
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0021	0.0109	0.0584
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0026	0.0275	0.0231
Schistosoma mansoni	heat shock protein	0.0054	0.1224	0.1183
Trichomonas vaginalis	heat shock protein, putative	0.0051	0.1113	0.2525
Trypanosoma cruzi	heat shock protein 90, putative	0.0046	0.0964	0.6288
Schistosoma mansoni	inositol monophosphatase	0.0043	0.0849	0.0807
Echinococcus granulosus	heat shock protein 90	0.0054	0.1224	0.1955
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.034	0.0333
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0416	0.0596
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0275	0.026
Schistosoma mansoni	acetyl-CoA carboxylase	0.0101	0.2784	0.2751
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0028	0.034	0.2297
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0036	0.0621	0.0402
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0019	0.0047	0.0001
Loa Loa (eye worm)	MH2 domain-containing protein	0.0141	0.4107	0.4607
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0109	0.0072
Toxoplasma gondii	aspartyl protease ASP3	0.0026	0.0275	0.0369
Leishmania major	heat shock protein 83-1	0.0054	0.1224	0.4299
Plasmodium vivax	plasmepsin IV, putative	0.0108	0.3013	0.4794
Entamoeba histolytica	90 kDa heat shock protein, putative	0.0036	0.0621	0.5073
Trypanosoma brucei	heat shock protein 84, putative	0.0036	0.0621	0.2097
Mycobacterium ulcerans	hypothetical protein	0.0028	0.034	0.2297
Loa Loa (eye worm)	hypothetical protein	0.004	0.0763	0.0814
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0059	0.1382	0.1515
Plasmodium vivax	plasmepsin V, putative	0.0026	0.0275	0.0369
Plasmodium falciparum	endoplasmin, putative	0.0039	0.0731	0.1106
Brugia malayi	Isocitrate dehydrogenase	0.0019	0.0047	0.0001
Trypanosoma brucei	unspecified product	0.0025	0.0268	0.0808
Plasmodium falciparum	plasmepsin VIII, putative	0.0026	0.0275	0.0369
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0838	0.0796
Trypanosoma cruzi	heat shock protein 85, putative	0.0054	0.1224	0.8067
Echinococcus granulosus	propionyl coenzyme A carboxylase alpha chain	0.0039	0.0706	0.1096
Trypanosoma brucei	heat shock protein 90, putative	0.0054	0.1224	0.4299
Brugia malayi	Inositol-1	0.0043	0.0849	0.0911
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0019	0.0047	0.0002
Plasmodium falciparum	plasmepsin X	0.0026	0.0275	0.0369
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0039	0.0706	0.2408
Schistosoma mansoni	pyruvate carboxylase	0.0039	0.0706	0.0663
Leishmania major	hypothetical protein, conserved	0.003	0.0416	0.1347
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0108	0.3013	0.4926
Brugia malayi	aspartic protease BmAsp-1, identical	0.0026	0.0275	0.026
Brugia malayi	MH2 domain containing protein	0.0141	0.4107	0.4607
Brugia malayi	hypothetical protein	0.003	0.0416	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1382	0.1515
Brugia malayi	hypothetical protein	0.0043	0.0838	0.0898
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0028	0.034	0.2297
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0026	0.0275	0.0231
Brugia malayi	Pepsin A precursor	0.0026	0.0275	0.026
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.1221	0.195
Toxoplasma gondii	aspartyl protease	0.0026	0.0275	0.0369
Toxoplasma gondii	pyruvate carboxylase	0.0039	0.0706	0.1065
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0043	0.0849	0.1296
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0109	0.0072
Leishmania major	heat shock protein 83-1	0.0054	0.1224	0.4299
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0026	0.0275	0.026
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0039	0.0706	0.4519
Trypanosoma brucei	heat shock protein, putative	0.0054	0.1224	0.4299
Onchocerca volvulus		0.0028	0.034	0.0075
Trypanosoma brucei	acetyl-CoA carboxylase	0.0101	0.2784	1
Leishmania major	methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein	0.0039	0.0706	0.2408
Mycobacterium ulcerans	bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3	0.0039	0.0706	0.5945
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0054	0.1221	0.1333
Echinococcus granulosus	inositol monophosphatase 1	0.0043	0.0849	0.1333
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0051	0.1113	1
Mycobacterium leprae	Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP)	0.0039	0.0706	0.4736
Echinococcus multilocularis	endoplasmin	0.0051	0.1113	0.1772
Trypanosoma brucei	heat shock protein, putative	0.0054	0.1224	0.4299
Loa Loa (eye worm)	inositol-1	0.0043	0.0849	0.0911
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.1221	0.195
Toxoplasma gondii	Hsp90 domain-containing protein	0.0206	0.6235	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0019	0.0047	0.0001
Brugia malayi	hypothetical protein	0.0019	0.0065	0.0022
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.034	0.2747
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0026	0.0275	0.0231
Schistosoma mansoni	endoplasmin	0.0054	0.1224	0.1183
Loa Loa (eye worm)	hypothetical protein	0.0028	0.034	0.0333
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0416	0.1347
Leishmania major	heat shock protein, putative	0.0036	0.0621	0.2097
Schistosoma mansoni	heat shock protein	0.0054	0.1224	0.1183
Leishmania major	carboxylase, putative	0.0039	0.0706	0.2408
Mycobacterium tuberculosis	Probable pyruvate carboxylase Pca (pyruvic carboxylase)	0.0039	0.0706	0.6182
Entamoeba histolytica	hypothetical protein	0.0043	0.0838	0.6847
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0026	0.0275	0.0231
Trypanosoma brucei	heat shock protein, putative	0.0054	0.1224	0.4299
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.0101	0.2784	0.4424
Trypanosoma cruzi	heat shock protein 90, putative	0.0023	0.018	0.091
Leishmania major	heat shock protein 83-1	0.0054	0.1224	0.4299
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.0101	0.2784	0.4424
Trypanosoma brucei	heat shock protein, putative	0.0054	0.1224	0.4299
Toxoplasma gondii	heat shock protein 75, putative	0.0036	0.0621	0.0928
Trichomonas vaginalis	heat shock protein, putative	0.0054	0.1224	0.2959
Brugia malayi	isocitrate dehydrogenase	0.0019	0.0047	0.0001
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0026	0.0275	0.0231
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.034	0.2297
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0108	0.3013	0.4794
Leishmania major	heat shock protein 83-1	0.0054	0.1224	0.4299
Brugia malayi	aspartic protease BmAsp-2, identical	0.0026	0.0275	0.026
Trypanosoma brucei	heat shock protein, putative	0.0054	0.1224	0.4299
Entamoeba histolytica	acyl-coA synthetase, putative	0.0028	0.034	0.2777
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0073	0.1857	0.2925
Schistosoma mansoni	hypothetical protein	0.004	0.0763	0.0721
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.034	0.107
Plasmodium vivax	acyl-CoA synthetase, putative	0.0021	0.0109	0.0101
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0019	0.0047	0.0002
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.0849	0.5496
Brugia malayi	Carboxyl transferase domain containing protein	0.0098	0.2667	0.2973
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0038	0.07	0.6122
Onchocerca volvulus		0.0285	0.8861	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0043	0.0849	0.1483
Leishmania major	heat shock protein 83-1	0.0054	0.1224	0.4299
Mycobacterium tuberculosis	Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie	0.0039	0.0706	0.6182
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.1221	0.118
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0026	0.0275	0.026
Schistosoma mansoni	hypothetical protein	0.0201	0.607	0.6052
Loa Loa (eye worm)	pax transcription factor protein 2	0.0285	0.8861	1
Echinococcus multilocularis	propionyl coenzyme A carboxylase alpha chain	0.0039	0.0706	0.1096
Schistosoma mansoni	hypothetical protein	0.0043	0.0838	0.0796
Plasmodium vivax	endoplasmin, putative	0.0054	0.1224	0.1902
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.0101	0.2784	0.4546
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0028	0.034	0.2747
Plasmodium falciparum	plasmepsin IX	0.0026	0.0275	0.0369
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0036	0.0621	0.0954
Entamoeba histolytica	hypothetical protein	0.0043	0.0838	0.6847
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0054	0.1224	1
Plasmodium falciparum	heat shock protein 90, putative	0.0032	0.0472	0.0686
Plasmodium falciparum	plasmepsin IV	0.0108	0.3013	0.4794
Plasmodium vivax	aspartyl proteinase, putative	0.0108	0.3013	0.4794
Trypanosoma cruzi	heat shock protein 85, putative	0.0054	0.1224	0.8067
Leishmania major	heat shock protein 83-1	0.0054	0.1224	0.4299
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.1221	0.195
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.0763	0.0814
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.0849	0.2929
Leishmania major	heat shock protein 83-1	0.0054	0.1224	0.4299
Trypanosoma cruzi	heat shock protein 85, putative	0.0046	0.0964	0.6288
Loa Loa (eye worm)	endoplasmin	0.0054	0.1224	0.1336
Plasmodium falciparum	plasmepsin VII	0.0026	0.0275	0.0369
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0051	0.1113	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0043	0.0849	0.1333
Plasmodium vivax	aspartyl protease, putative	0.0026	0.0275	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0275	0.026
Plasmodium falciparum	heat shock protein 90, putative	0.0206	0.6235	1
Echinococcus granulosus	endoplasmin	0.0051	0.1113	0.1772
Trypanosoma brucei	Heat shock protein 83, putative	0.0054	0.1224	0.4299
Leishmania major	heat shock protein 83-1	0.0054	0.1224	0.4299
Brugia malayi	Hsp90 protein	0.0036	0.0621	0.0652
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0026	0.0275	0.0231
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0072	0.0235
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0039	0.0706	0.4519
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0026	0.0275	0.0231
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.0849	0.5496
Toxoplasma gondii	aspartyl protease ASP1	0.0108	0.3013	0.4794
Trypanosoma brucei	heat shock protein, putative	0.0054	0.1224	0.4299
Toxoplasma gondii	heat shock protein HSP90	0.0054	0.1224	0.1902
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0416	0.0596
Brugia malayi	heat shock protein 90	0.0054	0.1224	0.1336
Plasmodium falciparum	plasmepsin VI	0.0108	0.3013	0.4794
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0108	0.3013	0.4926
Leishmania major	heat shock protein 83-1	0.0054	0.1224	0.4299
Leishmania major	heat shock protein 83-1	0.0054	0.1224	0.4299
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0108	0.3013	0.3366
Loa Loa (eye worm)	aspartyl protease 6	0.0026	0.0275	0.026
Plasmodium vivax	aspartyl protease, putative	0.0026	0.0275	0.0369
Plasmodium vivax	aspartyl protease, putative	0.0026	0.0275	0.0369
Entamoeba histolytica	hypothetical protein	0.0043	0.0838	0.6847
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.0849	0.2929
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.034	0.0333
Leishmania major	heat shock protein 83-1	0.0054	0.1224	0.4299
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0051	0.1113	1
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2	0.0039	0.0706	0.5945
Echinococcus granulosus	geminin	0.0201	0.607	1
Loa Loa (eye worm)	heat shock protein 90	0.0054	0.1224	0.1336
Brugia malayi	hypothetical protein	0.0026	0.0275	0.026
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0039	0.0706	0.0663
Treponema pallidum	heat shock protein 90	0.0051	0.1113	0.5
Echinococcus multilocularis	geminin	0.0201	0.607	1
Echinococcus multilocularis	heat shock protein	0.0054	0.1224	0.1955
Entamoeba histolytica	heat shock protein 90, putative	0.0054	0.1224	1
Plasmodium falciparum	heat shock protein 90	0.0054	0.1224	0.1902
Schistosoma mansoni	inositol monophosphatase	0.0043	0.0849	0.0807
Plasmodium falciparum	plasmepsin III	0.0026	0.0275	0.0369
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0043	0.0849	0.1483
Schistosoma mansoni	hypothetical protein	0.0201	0.607	0.6052
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0038	0.07	0.4654
Mycobacterium ulcerans	pyruvate carboxylase	0.0039	0.0706	0.5945
Trypanosoma brucei	heat shock protein 90, putative	0.0054	0.1224	0.4299
Leishmania major	heat shock protein 83-1	0.0054	0.1224	0.4299
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0051	0.1113	0.3896
Plasmodium falciparum	acyl-CoA synthetase	0.0021	0.0109	0.0101
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0047	0.0002
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.1221	0.118
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.1221	0.118
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0046	0.0964	0.788
Plasmodium falciparum	plasmepsin II	0.0108	0.3013	0.4794
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0028	0.034	0.2777
Plasmodium vivax	heat shock protein 86, putative	0.0054	0.1224	0.1902
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0047	0.0002
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0416	0.0596
Plasmodium vivax	heat shock protein 90, putative	0.0036	0.0621	0.0928
Trypanosoma cruzi	Heat shock protein 83, putative	0.0054	0.1224	0.8067
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0047	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0028	0.034	0.0333
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0026	0.0275	0.0369
Trypanosoma brucei	heat shock protein, putative	0.0054	0.1224	0.4299
Echinococcus granulosus	acetyl coenzyme A carboxylase 1	0.0101	0.2784	0.4546
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0108	0.3013	1
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1	0.0039	0.0706	0.5945
Plasmodium vivax	heat shock protein, putative	0.0206	0.6235	1
Leishmania major	heat shock protein 83-1	0.0054	0.1224	0.4299
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0046	0.0964	0.1524
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0036	0.0621	0.0954
Loa Loa (eye worm)	transcription factor SMAD2	0.0141	0.4107	0.4607
Echinococcus granulosus	heat shock protein 90	0.0046	0.0964	0.1524
Trypanosoma cruzi	heat shock protein 85, putative	0.0054	0.1224	0.8067
Toxoplasma gondii	heat shock protein 90, putative	0.0054	0.1224	0.1902
Mycobacterium ulcerans	heat shock protein 90	0.0051	0.1113	1
Trypanosoma brucei	heat shock protein, putative	0.0054	0.1224	0.4299
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.0098	0.2667	0.2973
Loa Loa (eye worm)	hypothetical protein	0.003	0.0416	0.0419
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0054	0.1221	0.1333
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0072	0.0235
Leishmania major	heat shock protein 83-1	0.0054	0.1224	0.4299
Brugia malayi	hypothetical protein	0.0026	0.0275	0.026
Loa Loa (eye worm)	hypothetical protein	0.0028	0.034	0.0333
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0043	0.0849	0.3501
Loa Loa (eye worm)	hypothetical protein	0.0108	0.3013	0.3366
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0072	0.0235
Trypanosoma cruzi	heat shock protein 90, putative	0.0054	0.1224	0.8067
Leishmania major	acetyl-CoA carboxylase, putative	0.0101	0.2784	1
Leishmania major	heat shock protein 83-1	0.0054	0.1224	0.4299
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0028	0.034	0.2297
Plasmodium vivax	aspartyl proteinase, putative	0.0026	0.0275	0.0369
Plasmodium falciparum	plasmepsin V	0.0026	0.0275	0.0369
Trichomonas vaginalis	heat shock protein, putative	0.0046	0.0964	0.1938
Entamoeba histolytica	hypothetical protein	0.0043	0.0838	0.6847
Trypanosoma cruzi	acetyl-CoA carboxylase	0.0063	0.1506	1
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0039	0.0706	0.0663
Chlamydia trachomatis	biotin carboxylase	0.0035	0.0589	1
Brugia malayi	Endoplasmin precursor	0.0054	0.1224	0.1336
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0108	0.3013	0.2981
Echinococcus multilocularis	isocitrate dehydrogenase	0.0019	0.0047	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0109	0.0072
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.034	0.2297
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0043	0.0849	0.7365
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0028	0.034	0.2297
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0416	0.0596
Trypanosoma cruzi	heat shock protein, putative	0.0036	0.0621	0.3934
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0838	0.1315

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 202 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: CHEMBL3667159

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1984089