TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 514.64 | Formula: C25H34N6O4S
H donors: 2 H acceptors: 5 LogP: 2.45 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: CCNC(=O)Nc1sc2c(c1C(=O)N1CCC(CC1)N1CCCC3(C1)CC(OC3=O)(C)C)nccn2
InChi: 1S/C25H34N6O4S/c1-4-26-23(34)29-19-17(18-20(36-19)28-10-9-27-18)21(32)30-12-6-16(7-13-30)31-11-5-8-25(15-31)14-24(2,3)35-22(25)33/h9-10,16H,4-8,11-15H2,1-3H3,(H2,26,29,34)
InChiKey: DMAOKINPKSSOBB-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

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	References
Homo sapiens	acetyl-CoA carboxylase alpha	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma congolense	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
Cryptosporidium hominis	acetyl-CoA carboxylase 2	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
Plasmodium knowlesi	biotin carboxylase subunit of acetyl CoA carboxylase, putative	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
Schistosoma japonicum	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 berghei	biotin carboxylase subunit of 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
Brugia malayi	Carboxyl transferase domain containing protein	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
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	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
Schistosoma japonicum	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
Schistosoma japonicum	ko:K01946 biotin carboxylase [EC6.3.4.14], 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
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
Toxoplasma gondii	acetyl-coA carboxylase ACC2	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
Echinococcus granulosus	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
Leishmania mexicana	acetyl-CoA carboxylase, 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
Candida albicans	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
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 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

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
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0034	0.032	0.0519
Schistosoma mansoni	glucose transport protein	0.0115	0.2038	0.5036
Loa Loa (eye worm)	hypothetical protein	0.0034	0.032	0.0519
Leishmania major	protein kinase, putative	0.0035	0.0335	0.0538
Trichomonas vaginalis	glucose transporter, putative	0.0036	0.0345	0.1423
Schistosoma mansoni	glucose transport protein	0.0115	0.2038	0.5036
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0034	0.032	0.0498
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0035	0.0335	0.0538
Mycobacterium ulcerans	acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3	0.0027	0.0171	0.0357
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0036	0.0345	0.0564
Giardia lamblia	Prolyl-tRNA synthetase	0.0034	0.032	0.9858
Brugia malayi	Cam kinase protein 1	0.0035	0.0335	0.0561
Trypanosoma cruzi	hexose transporter, putative	0.0036	0.0345	0.1522
Trypanosoma cruzi	hexose transporter, putative	0.0036	0.0345	0.1522
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0035	0.0335	0.0538
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0035	0.0335	0.0538
Leishmania major	glucose transporter, lmgt3	0.0036	0.0345	0.0564
Entamoeba histolytica	acetyl-coA carboxylase, putative	0.0035	0.0323	0.9387
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0026	0.0132	0.0342
Trichomonas vaginalis	CAMK family protein kinase	0.0035	0.0335	0.1374
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0027	0.0171	0.0755
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0027	0.0171	0.0755
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.004	0.0442	0.1951
Schistosoma mansoni	protein kinase	0.0035	0.0335	0.0538
Leishmania major	glucose transporter, lmgt1	0.0036	0.0345	0.0564
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0035	0.0336	0.0207
Trypanosoma cruzi	hexose transporter	0.0036	0.0345	0.1522
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0345	0.0564
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0147	0.272	0.2623
Mycobacterium leprae	ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6	0.0027	0.0171	0.1029
Mycobacterium ulcerans	acetyl-/propionyl-CoA carboxylase subunit beta	0.0027	0.0171	0.0357
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0034	0.032	0.0498
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.004	0.0442	0.082
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0035	0.0336	0.0207
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0077	0.1235	0.2913
Echinococcus granulosus	propionyl coenzyme A carboxylase beta chain	0.0027	0.0171	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0182	0.0139
Chlamydia trachomatis	biotin carboxylase	0.007	0.1083	1
Schistosoma mansoni	pyruvate carboxylase	0.0077	0.1235	0.2913
Echinococcus multilocularis	propionyl coenzyme A carboxylase alpha chain	0.0077	0.1235	0.2913
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0026	0.0132	0.0581
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0035	0.0335	0.0561
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0035	0.0336	0.0207
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0035	0.0336	0.0207
Entamoeba histolytica	protein kinase, putative	0.0035	0.0335	1
Schistosoma mansoni	serine/threonine protein kinase	0.0035	0.0335	0.0538
Plasmodium falciparum	hexose transporter	0.0115	0.2038	0.1932
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.0196	0.3765	1
Mycobacterium tuberculosis	Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie	0.0077	0.1235	1
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0035	0.0336	0.0207
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0077	0.1235	0.5446
Schistosoma mansoni	glucose transport protein	0.0115	0.2038	0.5036
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0487	1	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0035	0.0336	0.032
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0115	0.2038	0.5036
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0345	0.0564
Brugia malayi	Carboxyl transferase domain containing protein	0.0196	0.3765	1
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.004	0.0442	0.0486
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0147	0.272	0.2623
Echinococcus multilocularis	propionyl coenzyme A carboxylase beta chain	0.0027	0.0171	0.0104
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0034	0.032	0.0519
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0036	0.0345	0.0564
Leishmania major	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0027	0.0171	0.0104
Mycobacterium ulcerans	acetyl/propionyl CoA carboxylase subunit beta	0.0027	0.0171	0.0357
Trichomonas vaginalis	conserved hypothetical protein	0.0115	0.2038	1
Toxoplasma gondii	pyruvate carboxylase	0.0077	0.1235	0.1727
Trichomonas vaginalis	glucose transporter, putative	0.0036	0.0345	0.1423
Mycobacterium leprae	Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP)	0.0077	0.1235	1
Trypanosoma brucei	glucose transporter 2A	0.0036	0.0345	0.0564
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0035	0.0336	0.0207
Mycobacterium tuberculosis	Probable pyruvate carboxylase Pca (pyruvic carboxylase)	0.0077	0.1235	1
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0345	0.0564
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 5 AccD5	0.0027	0.0171	0.0357
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0077	0.1235	0.2913
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0034	0.032	0.0498
Echinococcus granulosus	propionyl coenzyme A carboxylase alpha chain	0.0077	0.1235	0.2913
Echinococcus granulosus	acetyl coenzyme A carboxylase 1	0.0203	0.3917	1
Mycobacterium leprae	Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE)	0.0027	0.0171	0.1029
Schistosoma mansoni	protein kinase	0.0035	0.0335	0.0538
Schistosoma mansoni	propionyl-CoA carboxylase beta chain mitochondrial precursor	0.0027	0.0171	0.0104
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0077	0.1235	0.2913
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0345	0.0564
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0035	0.0335	0.0538
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.0203	0.3917	0.5928
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2	0.0077	0.1235	1
Trypanosoma cruzi	acetyl-CoA carboxylase	0.0126	0.2267	1
Leishmania major	propionyl-coa carboxylase beta chain, putative	0.0027	0.0171	0.0104
Trypanosoma brucei	acetyl-CoA carboxylase	0.0203	0.3917	1
Loa Loa (eye worm)	sugar transporter	0.0115	0.2038	0.5246
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0115	0.2038	0.5036
Toxoplasma gondii	acyl-CoA carboxyltransferase beta chain, putative	0.0027	0.0171	0.0062
Leishmania major	carboxylase, putative	0.0077	0.1235	0.2913
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0035	0.0336	0.0207
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0077	0.1235	0.2913
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1	0.0077	0.1235	1
Trichomonas vaginalis	sugar transporter, putative	0.0036	0.0345	0.1423
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0035	0.0335	0.0538
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0035	0.0335	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0034	0.032	0.0519
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0026	0.0132	0.0697
Trypanosoma brucei	glucose transporter 1E	0.0036	0.0345	0.0564
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0115	0.2038	0.5036
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0345	0.1423
Schistosoma mansoni	hypothetical protein	0.0115	0.2038	0.5036
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0034	0.032	0.9253
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0036	0.0345	0.0564
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 4 AccD4_2	0.0027	0.0171	0.0357
Plasmodium vivax	hexose transporter	0.0115	0.2038	0.1932
Chlamydia trachomatis	acetyl-coenzyme A carboxylase carboxyl transferase subunit beta	0.0027	0.0171	0.0415
Trichomonas vaginalis	sugar transporter, putative	0.0036	0.0345	0.1423
Trypanosoma cruzi	hexose transporter, putative	0.0036	0.0345	0.1522
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0035	0.0335	0.0561
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0115	0.2038	0.5036
Entamoeba histolytica	protein kinase, putative	0.0035	0.0335	1
Trypanosoma brucei	unspecified product	0.0051	0.0669	0.1419
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0034	0.032	0.1297
Echinococcus multilocularis	General substrate transporter	0.0099	0.1693	0.4124
Giardia lamblia	Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative	0.0035	0.0323	1
Schistosoma mansoni	protein kinase	0.0035	0.0335	0.0538
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.004	0.0442	0.1951
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0035	0.0336	0.032
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0115	0.2038	0.5036
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0035	0.0336	0.0207
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0345	0.0564
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0035	0.0335	0.0538
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0115	0.2038	0.5036
Mycobacterium leprae	Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase)	0.0027	0.0171	0.1029
Mycobacterium tuberculosis	Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6	0.0027	0.0171	0.1029
Echinococcus granulosus	General substrate transporter	0.0099	0.1693	0.4124
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.0203	0.3917	1
Mycobacterium ulcerans	pyruvate carboxylase	0.0077	0.1235	1
Plasmodium falciparum	proline--tRNA ligase	0.004	0.0442	0.0315
Toxoplasma gondii	facilitative glucose transporter GT1	0.0115	0.2038	0.2985
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.0203	0.3917	0.5928
Leishmania major	glucose transporter, lmgt2	0.0036	0.0345	0.0564
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0345	0.0564
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0115	0.2038	0.5036
Leishmania major	acetyl-CoA carboxylase, putative	0.0203	0.3917	1
Mycobacterium ulcerans	bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3	0.0077	0.1235	1
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0077	0.1235	0.5446
Schistosoma mansoni	acetyl-CoA carboxylase	0.0203	0.3917	1
Toxoplasma gondii	protein kinase, putative	0.0324	0.6518	1
Leishmania major	methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein	0.0077	0.1235	0.2913
Brugia malayi	Sugar transporter family protein	0.0115	0.2038	0.5246
Echinococcus multilocularis	calcium dependent protein kinase	0.0033	0.0289	0.0415
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0186	0.355	0.3464
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0035	0.0336	0.0207
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.004	0.0442	0.082
Mycobacterium tuberculosis	Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase)	0.0027	0.0171	0.1029
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0035	0.0335	0.0538
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0035	0.0335	0.0561
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0034	0.032	0.2287
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0115	0.2038	0.5036
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0034	0.032	0.0498
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0186	0.355	0.5352
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0035	0.0335	0.0538
Trichomonas vaginalis	sugar transporter, putative	0.0036	0.0345	0.1423
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0345	0.0564
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0335	0.0561
Plasmodium vivax	proline--tRNA ligase, putative	0.004	0.0442	0.0315
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 4 AccD4	0.0027	0.0171	0.0357
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0036	0.0345	0.0564
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0345	0.1423
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0186	0.355	0.3464
Plasmodium falciparum	protein kinase 7	0.0324	0.6518	0.6471
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.004	0.0442	0.082
Trypanosoma brucei	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0027	0.0171	0.0104
Wolbachia endosymbiont of Brugia malayi	Acetyl/propionyl-CoA carboxylase, alpha subunit	0.0077	0.1235	1
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0345	0.0564
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0035	0.0336	0.032
Trypanosoma cruzi	acetyl-CoA carboxylase, putative	0.0027	0.0171	0.0755
Echinococcus granulosus	calcium dependent protein kinase	0.0033	0.0289	0.0415

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 37 nM	Inhibition of human ACC2 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green assay	ChEMBL.	22560583
IC50 (binding)	= 150 nM	Inhibition of human ACC1 using acetyl-coA as substrate incubated for 60 mins prior to substrate addition measured after 20 mins by malachite green assay	ChEMBL.	22560583

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: CHEMBL2030572

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1694260