TDR Targets

Basic information

Technical information

TDR Targets ID: 1406886
Name: N-(furan-2-ylmethyl)-2-oxo-N-(thiophen-2-ylme thyl)chromene-3-carboxamide
MW: 365.402 | Formula: C20H15NO4S
H donors: 0 H acceptors: 2 LogP: 3.38 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=c1oc2ccccc2cc1C(=O)N(Cc1cccs1)Cc1ccco1
InChi: 1S/C20H15NO4S/c22-19(17-11-14-5-1-2-8-18(14)25-20(17)23)21(12-15-6-3-9-24-15)13-16-7-4-10-26-16/h1-11H,12-13H2
InChiKey: VLAUJPURFXXAAX-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

N-(2-furylmethyl)-2-oxo-N-(2-thienylmethyl)chromene-3-carboxamide
N-(2-furylmethyl)-2-oxo-N-(2-thienylmethyl)-3-chromenecarboxamide
N-(2-furylmethyl)-2-keto-N-(2-thienylmethyl)chromene-3-carboxamide
Oprea1_308928
ZINC00908030
2-Oxo-2H-chromene-3-carboxylic acid furan-2-ylmethyl-thiophen-2-ylmethyl-amide
MLS000033352
ASN 03160437
SMR000002086

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948

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 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.0578	0.0578
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.01	0.01
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.2699	0.2699
Trypanosoma cruzi	pyruvate phosphate dikinase, putative	0.0422	0.4141	0.4141
Leishmania major	hypothetical protein, conserved	0.0043	0.0362	0.0362
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0172	0.0172
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0172	0.0172
Echinococcus multilocularis	transcription factor btf3	0.0036	0.0287	0.0287
Loa Loa (eye worm)	hypothetical protein	0.001	0.0032	0.0032
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0223	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0362	0.0362
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0172	0.0172
Trypanosoma brucei	transcription factor BTF3, putative	0.0036	0.0287	0.0287
Brugia malayi	TAR-binding protein	0.0065	0.0578	0.0578
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0091	0.0091
Loa Loa (eye worm)	pyruvate kinase-PB	0.0704	0.6953	0.6953
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0362	0.0362
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0091	0.0091
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0103	0.0954	0.0954
Echinococcus granulosus	cpg binding protein	0.0031	0.024	0.024
Loa Loa (eye worm)	hypothetical protein	0.0704	0.6953	0.6953
Schistosoma mansoni	cpg binding protein	0.0031	0.024	0.024
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0362	0.0362
Brugia malayi	pyruvate kinase	0.0213	0.2051	0.2051
Brugia malayi	ecdysteroid receptor	0.001	0.0032	0.0032
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0032	0.0032
Trichomonas vaginalis	phosphoenolpyruvate-protein phosphotransferase, putative	0.0422	0.4141	0.4141
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0032	0.0032
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0032	0.0032
Brugia malayi	steroid hormone receptor	0.001	0.0032	0.0032
Onchocerca volvulus		0.003	0.0223	0.0223
Schistosoma mansoni	hypothetical protein	0.0042	0.0346	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0018	0.011	0.011
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0172	0.0172
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0172	0.0172
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0362	0.0362
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0032	0.0032
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0032	0.0032
Echinococcus multilocularis	pyruvate kinase	0.0518	0.5098	0.5098
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0362	0.0362
Loa Loa (eye worm)	ICD-1 protein	0.0036	0.0287	0.0287
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0032	0.0032
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0362	0.0362
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0287	0.0287
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0362	0.0362
Echinococcus granulosus	transcription factor btf3	0.0036	0.0287	0.0287
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.01	0.01
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0032	0.0032
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0032	0.0032
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0016	0.0091	0.0091
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0032	0.0032
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0578	0.0578
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0032	0.0032
Echinococcus multilocularis	pyruvate kinase	0.0797	0.7878	0.7878
Echinococcus multilocularis	protein dispatched 1	0.005	0.0423	0.0423
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.001	0.0032	0.0032
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0172	0.0172
Leishmania major	pyruvate phosphate dikinase, putative	0.0422	0.4141	0.4141
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0018	0.011	0.011
Schistosoma mansoni	hypothetical protein	0.0205	0.197	0.197
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0032	0.0032
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0287	0.0287
Echinococcus multilocularis	sterol regulatory element binding protein	0.0043	0.0362	0.0362
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0032	0.0032
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.001	0.0032	0.0032
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0032	0.0032
Echinococcus multilocularis	Niemann Pick C1 protein	0.0101	0.0938	0.0938
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0362	0.0362
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.011	0.011
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0578	0.0578
Onchocerca volvulus		0.001	0.0032	0.0032
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0287	0.0287
Trichomonas vaginalis	pyruvate, phosphate dikinase, chloroplast, putative	0.0422	0.4141	0.4141
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0032	0.0032
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0362	0.0362
Entamoeba histolytica	pyruvate phosphate dikinase	0.0422	0.4141	0.5956
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.0578	0.0578
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0362	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0172	0.0172
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0172	0.0172
Loa Loa (eye worm)	pyruvate kinase	0.0213	0.2051	0.2051
Trypanosoma cruzi	transcription factor btf3, putative	0.0036	0.0287	0.0287
Brugia malayi	CHE-14 protein	0.0043	0.0362	0.0362
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0032	0.0032
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0362	0.0362
Schistosoma mansoni	coup transcription factor	0.001	0.0032	0.0032
Schistosoma mansoni	hypothetical protein	0.0019	0.0119	0.0119
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0172	0.0247
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0032	0.0032
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0091	0.0091
Echinococcus granulosus	dnaJ subfamily B	0.0421	0.4124	0.4124
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0529	0.0529
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0172	0.0172
Entamoeba histolytica	hypothetical protein	0.0036	0.0287	0.0413
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0032	0.0032
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0362	0.0362
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0019	0.0019
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0032	0.0032
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0032	0.0032
Trypanosoma cruzi	transcription factor btf3, putative	0.0036	0.0287	0.0287
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0172	0.0172
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.011	0.011
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0172	0.0172
Echinococcus granulosus	Protein patched homolog 1	0.0043	0.0362	0.0362
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0362	0.0362
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0091	0.0091
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0032	0.0032
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0032	0.0032
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0339	0.0339
Brugia malayi	beta-lactamase	0.0043	0.0362	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0032	0.0032
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0032	0.0032
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0032	0.0032
Echinococcus granulosus	geminin	0.0205	0.197	0.197
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0172	0.0172
Schistosoma mansoni	hypothetical protein	0.0042	0.0346	0.0346
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0362	0.0362
Schistosoma mansoni	hypothetical protein	0.0019	0.0119	0.0119
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0362	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0362	0.0362
Entamoeba histolytica	transcription factor BTF3, putative	0.0036	0.0287	0.0413
Mycobacterium leprae	PROBABLE PYRUVATE, PHOSPHATE DIKINASE PPDK	0.0422	0.4141	0.4141
Loa Loa (eye worm)	hypothetical protein	0.001	0.0032	0.0032
Echinococcus granulosus	Niemann Pick C1 protein	0.0101	0.0938	0.0938
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0091	0.0091
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0032	0.0032
Brugia malayi	nuclear hormone receptor	0.001	0.0032	0.0032
Onchocerca volvulus		0.0043	0.0362	0.0362
Schistosoma mansoni	hypothetical protein	0.0205	0.197	0.197
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0101	0.0938	0.135
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0032	0.0032
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0002	0.0002
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0529	0.0529
Brugia malayi	Pyruvate kinase, alpha/beta domain containing protein	0.0306	0.2976	0.2976
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0016	0.0091	0.0091
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.01	0.01
Mycobacterium ulcerans	hypothetical protein	0.0422	0.4141	0.4141
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0032	0.0032
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0032	0.0032
Chlamydia trachomatis	PTS system PEP phosphotransferase	0.0422	0.4141	0.4076
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0032	0.0032
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0362	0.0362
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0032	0.0032
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0119	0.0119
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0172	0.0172
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0362	0.0362
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0362	0.0362
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0362	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0339	0.0339
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0362	0.0362
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0002	0.0002
Mycobacterium ulcerans	lipase LipD	0.0043	0.0362	0.0362
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0043	0.0362	0.0362
Entamoeba histolytica	pyruvate kinase, putative	0.0704	0.6953	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0529	0.0529
Brugia malayi	RNA binding protein	0.0065	0.0578	0.0578
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0032	0.0032
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0032	0.0032
Brugia malayi	CXXC zinc finger family protein	0.003	0.0223	0.0223
Leishmania major	basic transcription factor 3a, putative	0.0036	0.0287	0.0287
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0032	0.0032
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0362	0.0362
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0002	0.0002
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0362	0.0362
Schistosoma mansoni	pyruvate kinase	0.0518	0.5098	0.5098
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0172	0.0247
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0362	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0362	0.0362
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0032	0.0032
Echinococcus multilocularis	cpg binding protein	0.0031	0.024	0.024
Trichomonas vaginalis	esterase, putative	0.0043	0.0362	0.0362
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0578	0.0578
Echinococcus granulosus	pyruvate kinase	0.0518	0.5098	0.5098
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0032	0.0032
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.002	0.002
Schistosoma mansoni	hypothetical protein	0.0042	0.0346	0.0346
Loa Loa (eye worm)	hypothetical protein	0.001	0.0032	0.0032
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0002	0.0002
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.001	0.0032	0.0032
Echinococcus multilocularis	dnaJ subfamily B	0.0421	0.4124	0.4124
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0032	0.0032
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.011	0.011
Brugia malayi	nuclear receptor NHR-88	0.001	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0119	0.0119
Brugia malayi	beta-NAC-like protein	0.0036	0.0287	0.0287
Mycobacterium ulcerans	pyruvate phosphate dikinase	0.0422	0.4141	0.4141
Plasmodium falciparum	pyruvate kinase 2	0.0518	0.5098	0.5098
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0362	0.0362
Plasmodium vivax	basic transcription factor 3b, putative	0.0036	0.0287	0.0287
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0016	0.0091	0.0091
Trichomonas vaginalis	pyruvate, phosphate dikinase, chloroplast, putative	0.0422	0.4141	0.4141
Mycobacterium tuberculosis	Probable pyruvate, phosphate dikinase PpdK	0.0422	0.4141	0.4141
Brugia malayi	Niemann-Pick C1 protein precursor	0.0101	0.0938	0.0938
Loa Loa (eye worm)	hypothetical protein	0.006	0.0529	0.0529
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.002	0.002
Echinococcus granulosus	pyruvate kinase	0.0518	0.5098	0.5098
Echinococcus multilocularis	Niemann Pick C1 protein	0.0145	0.1372	0.1372
Echinococcus granulosus	expressed conserved protein	0.0095	0.0877	0.0877
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0032	0.0032
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0091	0.0091
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0459	0.0459
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0172	0.0172
Schistosoma mansoni	transcription factor btf3	0.0036	0.0287	0.0287
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0032	0.0032
Trichomonas vaginalis	phosphoenolpyruvate-protein phosphotransferase, putative	0.0422	0.4141	0.4141
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0362	0.0362
Treponema pallidum	pyruvate phosphate dikinase	0.0422	0.4141	0.5
Toxoplasma gondii	pyruvate kinase PyKII	0.0518	0.5098	0.5098
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0032	0.0032
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0091	0.0091
Trichomonas vaginalis	pyruvate, phosphate dikinase, chloroplast, putative	0.0422	0.4141	0.4141
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0172	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0362	0.0362
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0119	0.0119
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.0578	0.0578
Schistosoma mansoni	hypothetical protein	0.0019	0.0119	0.0119
Echinococcus granulosus	Niemann Pick C1 protein	0.0145	0.1372	0.1372
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0362	0.0362
Toxoplasma gondii	NAC domain-containing protein	0.0036	0.0287	0.0287
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0119	0.0119
Echinococcus multilocularis	geminin	0.0205	0.197	0.197
Echinococcus granulosus	tar DNA binding protein	0.0065	0.0578	0.0578
Echinococcus granulosus	pyruvate kinase	0.0518	0.5098	0.5098
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0172	0.0247
Brugia malayi	beta-lactamase family protein	0.0043	0.0362	0.0362
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0119	0.0119
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0016	0.0091	0.0091
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0032	0.0032
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0032	0.0032
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0172	0.0172
Trypanosoma brucei	pyruvate phosphate dikinase	0.0422	0.4141	0.4141
Brugia malayi	pyruvate kinase, muscle isozyme	0.0213	0.2051	0.2051
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0032	0.0032
Echinococcus multilocularis	protein patched	0.0043	0.0362	0.0362
Trichomonas vaginalis	pyruvate, phosphate dikinase, chloroplast, putative	0.0422	0.4141	0.4141
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0032	0.0032
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0032	0.0032
Schistosoma mansoni	patched 1	0.0043	0.0362	0.0362
Onchocerca volvulus		0.0024	0.0172	0.0172
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0091	0.0091
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.002	0.002
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0091	0.0091
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0578	0.0578
Schistosoma mansoni	cpg binding protein	0.0031	0.024	0.024
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0172	0.0172
Echinococcus multilocularis	expressed conserved protein	0.0095	0.0877	0.0877
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0172	0.0172
Plasmodium falciparum	basic transcription factor 3b, putative	0.0036	0.0287	0.0287
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0016	0.0091	0.0091
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0422	0.4141	0.4141
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0091	0.0091
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0091	0.0091
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0091	0.0091
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0002	0.0002
Echinococcus granulosus	GPCR family 2	0.0019	0.0119	0.0119
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0032	0.0032
Onchocerca volvulus		0.0043	0.0362	0.0362
Trichomonas vaginalis	phosphoenolpyruvate-protein phosphotransferase, putative	0.0422	0.4141	0.4141
Trichomonas vaginalis	pyruvate, phosphate dikinase, chloroplast, putative	0.0422	0.4141	0.4141
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0032	0.0032
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0172	0.0172
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0362	0.0362
Schistosoma mansoni	hypothetical protein	0.0421	0.4124	0.4124
Loa Loa (eye worm)	RNA binding protein	0.0065	0.0578	0.0578
Toxoplasma gondii	ABC1 family protein	0.0043	0.0362	0.0362
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0362	0.0362
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0018	0.011	0.011
Echinococcus multilocularis	pyruvate kinase	0.0518	0.5098	0.5098
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0938	0.0938
Giardia lamblia	Pyruvate kinase	0.0518	0.5098	0.1633
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0032	0.0032
Brugia malayi	beta-lactamase family protein	0.0043	0.0362	0.0362
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0362	0.0362
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.0553	0.0553
Plasmodium vivax	pyruvate kinase 2, putative	0.0518	0.5098	0.5098
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0091	0.0091
Echinococcus multilocularis	pyruvate kinase	0.0518	0.5098	0.5098
Onchocerca volvulus		0.0043	0.0362	0.0362
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0119	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0018	0.011	0.011
Schistosoma mansoni	cpg binding protein	0.003	0.0223	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0172	0.0172
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0032	0.0032
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0362	0.0362
Schistosoma mansoni	hypothetical protein	0.0041	0.0339	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0362	0.0362
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0362	0.0362
Echinococcus granulosus	sterol regulatory element binding protein	0.0043	0.0362	0.0362
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0362	0.0362
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.01	0.01
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0032	0.0032
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0362	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0032	0.0032
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0172	0.0172
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.011	0.011
Loa Loa (eye worm)	hypothetical protein	0.0018	0.011	0.011
Schistosoma mansoni	hypothetical protein	0.0042	0.0346	0.0346
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0091	0.0091
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0362	0.0362
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0032	0.0032
Trichomonas vaginalis	pyruvate, phosphate dikinase, chloroplast, putative	0.0422	0.4141	0.4141
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0032	0.0032
Schistosoma mansoni	hypothetical protein	0.0019	0.0119	0.0119
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.0578	0.0578
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0362	0.0362
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0119	0.0119
Wolbachia endosymbiont of Brugia malayi	pyruvate phosphate dikinase	0.0422	0.4141	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0032	0.0032
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0119	0.0119
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0032	0.0032
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0032	0.0032
Trypanosoma cruzi	pyruvate phosphate dikinase, putative	0.0422	0.4141	0.4141
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0578	0.0578
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0362	0.0362
Trichomonas vaginalis	pyruvate, phosphate dikinase, chloroplast, putative	0.0422	0.4141	0.4141

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 9999 um	PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Potentiators Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 639 (Primary screen preceding this dose response confirmation assay.)]	ChEMBL.	No reference
Potency (functional)	= 2.2387 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	4.1095 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)	7.0795 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	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: CHEMBL1564765

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1406886