TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 397.511 | Formula: C23H31N3O3
H donors: 1 H acceptors: 2 LogP: 3.98 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCC(Oc1nccc(c1)N1CC[C@H](C1)Oc1ccc(cc1)[C@@H](NC(=O)C)C)C
InChi: 1S/C23H31N3O3/c1-5-16(2)28-23-14-20(10-12-24-23)26-13-11-22(15-26)29-21-8-6-19(7-9-21)17(3)25-18(4)27/h6-10,12,14,16-17,22H,5,11,13,15H2,1-4H3,(H,25,27)/t16?,17-,22+/m0/s1
InChiKey: YMQWHDBHMSAPFE-QUUZRVDCSA-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	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
Candida albicans	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
Plasmodium vivax	biotin carboxylase subunit of 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
Plasmodium knowlesi	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
Brugia malayi	Carboxyl transferase domain containing protein	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 ACC1	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 brucei gambiense	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
Leishmania mexicana	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
Cryptosporidium hominis	acetyl-CoA carboxylase 2	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
Neospora caninum	hypothetical protein	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
Plasmodium falciparum	biotin carboxylase subunit of 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
Trypanosoma congolense	acetyl-CoA carboxylase	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
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 cruzi	acetyl-CoA carboxylase	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
Schistosoma mansoni	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
Trypanosoma congolense	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
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0067	0.5558	0.4452
Schistosoma mansoni	tyrosine-protein kinase zap-70	0.0045	0.276	0.0959
Schistosoma mansoni	tyrosine kinase	0.0067	0.5558	0.4452
Loa Loa (eye worm)	TK/FER protein kinase	0.0067	0.5558	0.4122
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0045	0.276	0.0959
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0067	0.5558	0.4452
Echinococcus granulosus	tyrosine protein kinase shark	0.0067	0.5558	0.4452
Echinococcus granulosus	SH2 motif	0.0045	0.276	0.0959
Entamoeba histolytica	SH2 domain containing protein	0.0045	0.276	0.4966
Echinococcus multilocularis	c src tyrosine kinase	0.0067	0.5558	0.4452
Mycobacterium tuberculosis	Probable pyruvate carboxylase Pca (pyruvic carboxylase)	0.0039	0.1992	0.5
Echinococcus granulosus	SH2 domain containing protein 7	0.0045	0.276	0.0959
Echinococcus granulosus	suppressor of cytokine signaling 7	0.0045	0.276	0.0959
Schistosoma mansoni	suppressor of cytokine signaling	0.0045	0.276	0.0959
Loa Loa (eye worm)	TK/FER protein kinase	0.0067	0.5558	0.4122
Echinococcus multilocularis	tyrosine kinase	0.0067	0.5558	0.4452
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0045	0.276	0.0959
Echinococcus multilocularis	SH2 domain containing adapter protein F	0.0045	0.276	0.0959
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0067	0.5558	0.4452
Onchocerca volvulus		0.0067	0.5558	1
Brugia malayi	Protein kinase domain containing protein	0.0067	0.5558	0.4122
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0067	0.5558	0.4452
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0067	0.5558	0.4452
Echinococcus granulosus	tensin C1 domain containing phosphatase	0.0045	0.276	0.0959
Echinococcus multilocularis	tyrosine protein kinase shark	0.0067	0.5558	0.4452
Schistosoma mansoni	tensin-related	0.0045	0.276	0.0959
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0045	0.276	0.0959
Schistosoma mansoni	vav2	0.0045	0.276	0.0959
Echinococcus granulosus	tyrosine kinase	0.0067	0.5558	0.4452
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0045	0.276	0.0959
Brugia malayi	Protein kinase domain containing protein	0.0067	0.5558	0.4122
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0067	0.5558	0.4452
Loa Loa (eye worm)	TK/ABL protein kinase	0.0067	0.5558	0.4122
Brugia malayi	SRC-1	0.0067	0.5558	0.4122
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0067	0.5558	0.4452
Echinococcus multilocularis	NCK adaptor protein	0.0045	0.276	0.0959
Echinococcus multilocularis	N chimaerin	0.0045	0.276	0.0959
Brugia malayi	SH2 domain containing protein	0.0067	0.5558	0.4122
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0045	0.276	0.0959
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0045	0.276	0.0959
Mycobacterium ulcerans	bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3	0.0039	0.1992	0.5
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0067	0.5558	0.4452
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0067	0.5558	0.4452
Schistosoma mansoni	tensin	0.0045	0.276	0.0959
Schistosoma mansoni	tyrosine kinase	0.0067	0.5558	0.4452
Brugia malayi	Protein kinase domain containing protein	0.0067	0.5558	0.4122
Trypanosoma brucei	acetyl-CoA carboxylase	0.0101	1	1
Echinococcus multilocularis	phosphatidylinositol 3 kinase regulatory subunit	0.0045	0.276	0.0959
Echinococcus multilocularis	tensin	0.0045	0.276	0.0959
Echinococcus multilocularis	tensin	0.0045	0.276	0.0959
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0067	0.5558	0.4452
Schistosoma mansoni	growth factor receptor-bound protein	0.0045	0.276	0.0959
Loa Loa (eye worm)	TK/FER protein kinase	0.0067	0.5558	0.4122
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0067	0.5558	0.4452
Echinococcus granulosus	SHC transforming protein 3	0.0045	0.276	0.0959
Schistosoma mansoni	growth factor receptor-bound protein	0.0045	0.276	0.0959
Chlamydia trachomatis	biotin carboxylase	0.0035	0.1539	0.5
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0045	0.276	0.0959
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0067	0.5558	0.4452
Loa Loa (eye worm)	TK/FER protein kinase	0.0067	0.5558	0.4122
Echinococcus multilocularis	SH2 motif	0.0045	0.276	0.0959
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0045	0.276	0.0959
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0045	0.276	0.0959
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0067	0.5558	0.4452
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0067	0.5558	1
Schistosoma mansoni	tyrosine kinase	0.0067	0.5558	0.4452
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0067	0.5558	0.4452
Wolbachia endosymbiont of Brugia malayi	Acetyl/propionyl-CoA carboxylase, alpha subunit	0.0039	0.1992	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0067	0.5558	0.4452
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0039	0.1992	0.1741
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0073	0.6426	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0067	0.5558	0.4452
Echinococcus multilocularis	signal transduction protein lnk realted	0.0045	0.276	0.0959
Echinococcus granulosus	tyrosine protein kinase Srms	0.0067	0.5558	0.4452
Mycobacterium ulcerans	pyruvate carboxylase	0.0039	0.1992	0.5
Schistosoma mansoni	signal transduction protein lnk-related	0.0045	0.276	0.0959
Echinococcus granulosus	growth factor receptor bound protein 2	0.0045	0.276	0.0959
Schistosoma mansoni	adapter molecule crk	0.0045	0.276	0.0959
Echinococcus granulosus	signal transduction protein lnk realted	0.0045	0.276	0.0959
Brugia malayi	Carboxyl transferase domain containing protein	0.0098	0.9547	1
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.0098	0.9547	1
Echinococcus granulosus	hypothetical protein	0.0045	0.276	0.0959
Mycobacterium tuberculosis	Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie	0.0039	0.1992	0.5
Brugia malayi	protein-tyrosine kinase	0.0067	0.5558	0.4122
Entamoeba histolytica	protein kinase, putative	0.0045	0.276	0.4966
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1	0.0039	0.1992	0.5
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0045	0.276	0.0959
Leishmania major	acetyl-CoA carboxylase, putative	0.0101	1	1
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0067	0.5558	0.4452
Echinococcus granulosus	tensin	0.0045	0.276	0.0959
Loa Loa (eye worm)	hypothetical protein	0.0067	0.5558	0.4122
Echinococcus multilocularis	SH2 domain containing protein 7	0.0045	0.276	0.0959
Schistosoma mansoni	tyrosine kinase	0.0067	0.5558	0.4452
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.0101	1	1
Echinococcus granulosus	SH2 domain containing adapter protein F	0.0045	0.276	0.0959
Loa Loa (eye worm)	TK/FER protein kinase	0.0067	0.5558	0.4122
Echinococcus granulosus	expressed conserved protein	0.0045	0.276	0.0959
Schistosoma mansoni	tensin-related	0.0045	0.276	0.0959
Trypanosoma cruzi	acetyl-CoA carboxylase	0.0063	0.5073	1
Echinococcus multilocularis	SH2 motif	0.0045	0.276	0.0959
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0045	0.276	0.0959
Brugia malayi	Protein kinase domain containing protein	0.0067	0.5558	0.4122
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0045	0.276	0.0959
Schistosoma mansoni	nck2/grb4	0.0045	0.276	0.0959
Schistosoma mansoni	suppressor of cytokine signaling	0.0045	0.276	0.0959
Echinococcus granulosus	suppressor of cytokine signaling 6	0.0045	0.276	0.0959
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0045	0.276	0.4966
Echinococcus granulosus	NCK adaptor protein	0.0045	0.276	0.0959
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0067	0.5558	0.4452
Echinococcus granulosus	N chimaerin	0.0045	0.276	0.0959
Schistosoma mansoni	tyrosine kinase	0.0067	0.5558	0.4452
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0067	0.5558	0.4452
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0045	0.276	0.0959
Echinococcus multilocularis	SH2 motif	0.0045	0.276	0.0959
Schistosoma mansoni	hypothetical protein	0.0045	0.276	0.0959
Brugia malayi	Protein kinase domain containing protein	0.0067	0.5558	0.4122
Brugia malayi	hypothetical protein	0.0067	0.5558	0.4122
Mycobacterium leprae	Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP)	0.0039	0.1992	0.5
Loa Loa (eye worm)	SRC-1	0.0067	0.5558	0.4122
Schistosoma mansoni	SH2A	0.0045	0.276	0.0959
Schistosoma mansoni	tensin	0.0045	0.276	0.0959
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0067	0.5558	0.4452
Echinococcus granulosus	c src tyrosine kinase	0.0067	0.5558	0.4452
Brugia malayi	Tyrosine-protein kinase abl-1	0.0067	0.5558	0.4122
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0067	0.5558	0.4452
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2	0.0039	0.1992	0.5
Echinococcus multilocularis	suppressor of cytokine signaling 6	0.0045	0.276	0.0959
Loa Loa (eye worm)	TK/FER protein kinase	0.0067	0.5558	0.4122
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0067	0.5558	0.4452
Echinococcus multilocularis	SHC transforming protein 3	0.0045	0.276	0.0959
Loa Loa (eye worm)	TK/FER protein kinase	0.0067	0.5558	0.4122
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0067	0.5558	0.4452
Onchocerca volvulus		0.0067	0.5558	1
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0067	0.5558	0.4452
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0045	0.276	0.0959
Loa Loa (eye worm)	TK/FER protein kinase	0.0067	0.5558	0.4122
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0067	0.5558	0.4452
Schistosoma mansoni	tensin	0.0045	0.276	0.0959
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0067	0.5558	0.4452
Onchocerca volvulus		0.0067	0.5558	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0067	0.5558	0.4122
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.0101	1	1
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0067	0.5558	0.4452
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0067	0.5558	0.4452
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0073	0.6426	0.5
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.0101	1	1
Schistosoma mansoni	shc transforming protein	0.0045	0.276	0.0959
Echinococcus granulosus	phosphatidylinositol 3 kinase regulatory subunit	0.0045	0.276	0.0959
Onchocerca volvulus		0.0067	0.5558	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0045	0.276	0.0959
Echinococcus granulosus	tyrosine protein kinase Blk	0.0067	0.5558	0.4452
Echinococcus granulosus	tyrosine kinase	0.0067	0.5558	0.4452
Onchocerca volvulus		0.0067	0.5558	1
Echinococcus granulosus	SH2 motif	0.0045	0.276	0.0959
Schistosoma mansoni	GTPase activating protein	0.0045	0.276	0.0959
Schistosoma mansoni	hypothetical protein	0.0045	0.276	0.0959
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0039	0.1992	0.1741
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0067	0.5558	0.4452
Echinococcus multilocularis		0.0045	0.276	0.0959
Loa Loa (eye worm)	TK/FER protein kinase	0.0067	0.5558	0.4122
Schistosoma mansoni	tyrosine kinase	0.0067	0.5558	0.4452
Brugia malayi	SH2 domain containing protein	0.0067	0.5558	0.4122
Onchocerca volvulus		0.0067	0.5558	1
Loa Loa (eye worm)	TK protein kinase	0.0067	0.5558	0.4122
Schistosoma mansoni	acetyl-CoA carboxylase	0.0101	1	1

Activities

No activities found for this compound.

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.

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: CHEMBL3691148

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 2003088