TDR Targets

Basic information

Technical information

TDR Targets ID: 1890822
Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2-methox ynaphthalen-1-yl)methylideneamino]-5-propyltr iazole-4-carboxamide
MW: 420.425 | Formula: C20H20N8O3
H donors: 2 H acceptors: 5 LogP: 2.82 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCc1c(nnn1c1nonc1N)C(=O)N/N=C/c1c(OC)ccc2c1cccc2
InChi: 1S/C20H20N8O3/c1-3-6-15-17(23-27-28(15)19-18(21)25-31-26-19)20(29)24-22-11-14-13-8-5-4-7-12(13)9-10-16(14)30-2/h4-5,7-11H,3,6H2,1-2H3,(H2,21,25)(H,24,29)/b22-11+
InChiKey: RCCRIDNADXMLEV-SSDVNMTOSA-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

1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2-methoxy-1-naphthyl)methyleneamino]-5-propyl-triazole-4-carboxamide
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2-methoxy-1-naphthyl)methyleneamino]-5-propyl-4-triazolecarboxamide
1-(4-aminofurazan-3-yl)-N-[(2-methoxy-1-naphthyl)methyleneamino]-5-propyl-triazole-4-carboxamide
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-propyl-1,2,3-triazole-4-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	multiple endocrine neoplasia I		No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0033	0.0031
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0411	0.0425
Schistosoma mansoni	hypothetical protein	0.0205	0.4014	0.3994
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0033	0.0036
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0033	0.0031
Leishmania major	propionyl-coa carboxylase beta chain, putative	0.0064	0.1108	0.1041
Echinococcus granulosus	propionyl coenzyme A carboxylase beta chain	0.0064	0.1108	0.1106
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0033	0.0036
Schistosoma mansoni	carbamoyl-phosphate synthetase	0.0041	0.0624	0.0593
Echinococcus multilocularis	cpg binding protein	0.0037	0.0539	0.0537
Schistosoma mansoni	hypothetical protein	0.0205	0.4014	0.3994
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0033	0.0033
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.018	0.3512	0.3491
Trypanosoma brucei	acetyl-CoA carboxylase	0.0474	0.9578	1
Mycobacterium leprae	ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6	0.0064	0.1108	0.2905
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0033	0.0036
Toxoplasma gondii	acyl-CoA carboxyltransferase beta chain, putative	0.0064	0.1108	0.1041
Echinococcus granulosus	cpg binding protein	0.0037	0.0539	0.0537
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0033	0.0036
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 4 AccD4_2	0.0064	0.1108	0.2905
Echinococcus multilocularis	dnaJ subfamily B	0.0494	1	1
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0033	0.0031
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0343	0.687	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0033	0.0036
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0411	0.0425
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1	0.018	0.3512	1
Trypanosoma cruzi	glutamine dependent carbamoyl-phosphate synthase, putative	0.0041	0.0624	0.0874
Echinococcus granulosus	dihydrolipoyllysine residue acetyltransferase	0.0017	0.0124	0.0121
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0924	0.0997
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.0474	0.9578	0.9577
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0924	0.1
Mycobacterium tuberculosis	Probable pyruvate carboxylase Pca (pyruvic carboxylase)	0.018	0.3512	1
Mycobacterium ulcerans	acetyl-/propionyl-CoA carboxylase subunit beta	0.0064	0.1108	0.2905
Schistosoma mansoni	pyruvate carboxylase	0.018	0.3512	0.3491
Echinococcus granulosus	propionyl coenzyme A carboxylase alpha chain	0.018	0.3512	0.3511
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0033	0.0033
Schistosoma mansoni	dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase	0.0017	0.0124	0.0091
Echinococcus multilocularis	propionyl coenzyme A carboxylase beta chain	0.0064	0.1108	0.1106
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0033	0.0031
Mycobacterium tuberculosis	Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6	0.0064	0.1108	0.2905
Leishmania major	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0064	0.1108	0.1041
Brugia malayi	steroid hormone receptor	0.0012	0.0033	0.0036
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0033	0.0031
Echinococcus multilocularis	dihydrolipoyllysine residue succinyltransferase	0.0017	0.0124	0.0121
Leishmania major	carboxylase, putative	0.018	0.3512	0.3584
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0498	0.0537
Schistosoma mansoni	acetyl-CoA carboxylase	0.0474	0.9578	0.9576
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0033	0.0031
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.1303	0.1274
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0064	0.1108	0.172
Onchocerca volvulus		0.0035	0.0498	1
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0064	0.1108	0.172
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.114	0.1075
Brugia malayi	hypothetical protein	0.003	0.0411	0.0445
Trypanosoma cruzi	glutamine-dependent carbamoyl-phosphate synthetase, putative	0.0041	0.0624	0.0874
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0924	0.0893
Schistosoma mansoni	cpg binding protein	0.0037	0.0539	0.0508
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.0457	0.9234	1
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.0474	0.9578	1
Mycobacterium leprae	Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE)	0.0064	0.1108	0.2905
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.018	0.3512	0.5922
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0498	0.054
Schistosoma mansoni	aspartate carbamoyltransferase	0.0041	0.0624	0.0593
Trypanosoma brucei	unspecified product	0.0119	0.2234	0.2232
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0014	0.0063	0.006
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0033	0.0031
Mycobacterium ulcerans	acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3	0.0064	0.1108	0.2905
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0033	0.0033
Mycobacterium tuberculosis	Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase)	0.0064	0.1108	0.2905
Plasmodium falciparum	carbamoyl phosphate synthetase	0.0041	0.0624	0.0742
Loa Loa (eye worm)	hypothetical protein	0.003	0.0411	0.0442
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0033	0.0031
Mycobacterium ulcerans	carbamoyl phosphate synthase large subunit	0.0041	0.0624	0.1476
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0411	0.0501
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0033	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0033	0.0033
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0411	0.0501
Brugia malayi	dihydrolipoamide S-acetyltransferase precursor, putative	0.0017	0.0124	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0033	0.0033
Plasmodium vivax	carbamoyl phosphate synthetase, putative	0.0041	0.0624	0.0742
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0033	0.0033
Trypanosoma cruzi	acetyl-CoA carboxylase, putative	0.0064	0.1108	0.172
Schistosoma mansoni	dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase	0.0017	0.0124	0.0091
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0033	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0033	0.0033
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0411	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0124	0.0131
Schistosoma mansoni	cpg binding protein	0.0037	0.0539	0.0508
Leishmania major	methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein	0.018	0.3512	0.3584
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0033	0.0031
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0033	0.0036
Toxoplasma gondii	pyruvate carboxylase	0.018	0.3512	0.3584
Brugia malayi	Carboxyl transferase domain containing protein	0.0457	0.9234	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0033	0.0036
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0411	0.0303
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0924	0.0921
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.018	0.3512	0.3584
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0033	0.0031
Wolbachia endosymbiont of Brugia malayi	Acetyl/propionyl-CoA carboxylase, alpha subunit	0.018	0.3512	1
Trypanosoma brucei	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0064	0.1108	0.1041
Schistosoma mansoni	propionyl-CoA carboxylase beta chain mitochondrial precursor	0.0064	0.1108	0.1079
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0924	0.0921
Wolbachia endosymbiont of Brugia malayi	carbamoyl phosphate synthase large subunit	0.0041	0.0624	0.1476
Echinococcus granulosus	acetyl coenzyme A carboxylase 1	0.0474	0.9578	0.9577
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0033	0.0031
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0033	0.0036
Trypanosoma cruzi	acetyl-CoA carboxylase	0.0293	0.5846	1
Echinococcus granulosus	geminin	0.0205	0.4014	0.4013
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0033	0.0036
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0033	0.0033
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0033	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0033	0.0033
Giardia lamblia	Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative	0.0081	0.1452	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0924	0.0893
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0033	0.0033
Leishmania major	acetyl-CoA carboxylase, putative	0.0474	0.9578	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0033	0.0036
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0033	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0033	0.0033
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0924	0.0893
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0033	0.0033
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0411	0.0425
Schistosoma mansoni	cpg binding protein	0.0035	0.0498	0.0467
Wolbachia endosymbiont of Brugia malayi	Acetyl-CoA carboxylase, carboxyltransferase component	0.0064	0.1108	0.2905
Toxoplasma gondii	carbamoylphosphate synthetase	0.0041	0.0624	0.0529
Echinococcus multilocularis	Biotin lipoyl attachment	0.0017	0.0124	0.0121
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.018	0.3512	0.5922
Echinococcus multilocularis	geminin	0.0205	0.4014	0.4013
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.0474	0.9578	1
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.018	0.3512	0.3584
Entamoeba histolytica	acetyl-coA carboxylase, putative	0.0081	0.1452	0.5
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0014	0.0063	0.006
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0033	0.0036
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0343	0.687	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0033	0.0036
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0033	0.0036
Echinococcus granulosus	dihydrolipoyllysine residue succinyltransferase	0.0017	0.0124	0.0121
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0033	0.0036
Mycobacterium leprae	Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP)	0.018	0.3512	1
Trypanosoma brucei	glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative	0.0041	0.0624	0.0529
Mycobacterium ulcerans	acetyl/propionyl CoA carboxylase subunit beta	0.0064	0.1108	0.2905
Leishmania major	carbamoyl-phosphate synthase, putative	0.0041	0.0624	0.0529
Schistosoma mansoni	hypothetical protein	0.0014	0.0063	0.003
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 4 AccD4	0.0064	0.1108	0.2905
Schistosoma mansoni	dihydrolipoamide S-acetyltransferase	0.0017	0.0124	0.0091
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0033	0.0033
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0033	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0124	0.0131
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 5 AccD5	0.0064	0.1108	0.2905
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0924	0.0921
Chlamydia trachomatis	acetyl-coenzyme A carboxylase carboxyl transferase subunit beta	0.0064	0.1108	0.3233
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0033	0.0031
Brugia malayi	ecdysteroid receptor	0.0012	0.0033	0.0036
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0033	0.0031
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.018	0.3512	0.3491
Leishmania major	hypothetical protein, conserved	0.003	0.0411	0.0303
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0033	0.0033
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0924	0.0921
Schistosoma mansoni	carbamoyl-phosphate synthetase	0.0041	0.0624	0.0593
Echinococcus multilocularis	propionyl coenzyme A carboxylase alpha chain	0.018	0.3512	0.3511
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0033	0.0033
Echinococcus multilocularis	dihydrolipoyllysine residue acetyltransferase	0.0017	0.0124	0.0121
Schistosoma mansoni	dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase	0.0017	0.0124	0.0091
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0033	0.0031
Brugia malayi	Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor	0.0017	0.0124	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0033	0.0033
Mycobacterium leprae	Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase)	0.0064	0.1108	0.2905
Brugia malayi	hypothetical protein	0.002	0.0187	0.0203
Mycobacterium tuberculosis	Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie	0.018	0.3512	1
Mycobacterium ulcerans	pyruvate carboxylase	0.018	0.3512	1
Treponema pallidum	pyruvate carboxylase subunit B	0.0017	0.0124	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0124	0.0131
Schistosoma mansoni	hypothetical protein	0.0494	1	1
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2	0.018	0.3512	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0033	0.0031
Mycobacterium ulcerans	bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3	0.018	0.3512	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0033	0.0036
Brugia malayi	nuclear hormone receptor	0.0012	0.0033	0.0036
Chlamydia trachomatis	biotin carboxylase	0.0164	0.3169	1
Brugia malayi	Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta	0.0017	0.0124	0.0134
Echinococcus granulosus	Biotin lipoyl attachment	0.0017	0.0124	0.0121

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0928 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	0.7943 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	1.2589 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.3323 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	4.6109 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 6.3096 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 8.9125 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL3209149

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1890822