TDR Targets

Basic information

Technical information

TDR Targets ID: 1254311
Name: N-(6-bicyclo[2.2.1]heptanyl)-3-(3-nitrophenyl )prop-2-enamide
MW: 286.326 | Formula: C16H18N2O3
H donors: 1 H acceptors: 3 LogP: 3.2 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NC1CC2CC1CC2)/C=C/c1cccc(c1)[N+](=O)[O-]
InChi: 1S/C16H18N2O3/c19-16(17-15-10-12-4-6-13(15)8-12)7-5-11-2-1-3-14(9-11)18(20)21/h1-3,5,7,9,12-13,15H,4,6,8,10H2,(H,17,19)/b7-5+
InChiKey: IUTLHHLKABEKQO-FNORWQNLSA-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

(E)-N-(6-bicyclo[2.2.1]heptanyl)-3-(3-nitrophenyl)prop-2-enamide
(E)-3-(3-nitrophenyl)-N-norbornan-2-yl-prop-2-enamide
3-(3-nitrophenyl)-N-norbornan-2-yl-prop-2-enamide
(E)-3-(3-nitrophenyl)-N-(2-norbornanyl)prop-2-enamide
3-(3-nitrophenyl)-N-(2-norbornanyl)prop-2-enamide
3-(3-nitrophenyl)-N-(2-norbornyl)acrylamide
(E)-3-(3-nitrophenyl)-N-(2-norbornyl)acrylamide
N-bicyclo[2.2.1]hept-2-yl-3-(3-nitrophenyl)acrylamide
SMR000269117
MLS000681459

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, alpha	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
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
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
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 japonicum	ko:K01187 alpha-glucosidase [EC3.2.1.20], putative	Get druggable targets OG5_127055	All targets in OG5_127055
Onchocerca volvulus		Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus granulosus	guanine nucleotide binding protein Gs 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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	Glycosyl hydrolases family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
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
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	Lysosomal alpha-glucosidase precursor, putative	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
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
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
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0008	0.0044	0.0041
Echinococcus multilocularis	thioredoxin glutathione reductase	0.005	0.1595	0.2248
Treponema pallidum	NADH oxidase	0.0017	0.0389	0.5
Onchocerca volvulus		0.0043	0.1354	0.3354
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0008	0.0044	0.0041
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0008	0.0044	0.0041
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0057	0.1845	0.4208
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.0124	0.4325	0.6156
Loa Loa (eye worm)	hypothetical protein	0.018	0.6406	0.9133
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0017	0.0389	0.0805
Loa Loa (eye worm)	thioredoxin reductase	0.005	0.1595	0.2226
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.1354	0.3059
Mycobacterium ulcerans	lipase LipD	0.0043	0.1354	1
Loa Loa (eye worm)	beta-lactamase	0.0043	0.1354	0.188
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0044	0.136	0.1889
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0027	0.0754	0.5421
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.02	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0012	0.02	0.0223
Trypanosoma brucei	trypanothione reductase	0.005	0.1595	0.3622
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.0124	0.4325	0.6156
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.701	1
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0017	0.0389	0.061
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.02	0.0294
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.02	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0349	0.0438
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1788	0.2952
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0114	0.3959	0.3957
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.02	0.0223
Onchocerca volvulus		0.0012	0.02	0.0398
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.02	0.0223
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.1354	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0017	0.0389	0.0805
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0017	0.0389	0.0522
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0092	0.0097
Plasmodium falciparum	glutathione reductase	0.0017	0.0389	0.0805
Mycobacterium ulcerans	beta-lactamase	0.0043	0.1354	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.005	0.1595	0.1592
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0754	0.1019
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0044	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0012	0.02	0.0223
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.1354	0.3059
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.1354	0.3059
Brugia malayi	beta-lactamase	0.0043	0.1354	0.188
Mycobacterium ulcerans	hypothetical protein	0.0043	0.1354	1
Schistosoma mansoni	coup transcription factor	0.0012	0.02	0.0294
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1788	0.2952
Echinococcus granulosus	cpg binding protein	0.0032	0.0919	0.1281
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0127	0.4429	0.4427
Loa Loa (eye worm)	hypothetical protein	0.0012	0.02	0.0223
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0017	0.0389	0.0805
Plasmodium vivax	thioredoxin reductase, putative	0.005	0.1595	0.3622
Plasmodium falciparum	glutathione reductase	0.005	0.1595	0.3622
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.02	0.0398
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.1354	0.313
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.0124	0.4325	0.7198
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1354	0.188
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0127	0.4429	0.4427
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0016	0.0349	0.0438
Loa Loa (eye worm)	hypothetical protein	0.002	0.05	0.0654
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.02	0.0223
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0017	0.0389	0.5
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.05	0.0497
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.02	0.0223
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.1354	0.188
Leishmania major	glycosyl hydrolase-like protein	0.0016	0.0349	0.0713
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0008	0.0044	0.0029
Echinococcus multilocularis	muscleblind protein 1	0.018	0.6406	0.9136
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0197	0.701	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1788	0.2525
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0389	0.0805
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0017	0.0389	0.0805
Schistosoma mansoni	alpha glucosidase	0.0044	0.136	0.2237
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.136	0.3146
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.02	0.0294
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.02	0.0251
Brugia malayi	ecdysteroid receptor	0.0012	0.02	0.0223
Brugia malayi	beta-lactamase family protein	0.0043	0.1354	0.188
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.1354	0.313
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.0124	0.4325	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0114	0.3959	0.3957
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0044	0.0041
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0389	0.5
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0459	0.0456
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.1354	0.188
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.02	0.0223
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0459	0.0456
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0008	0.0044	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0012	0.02	0.0223
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0017	0.0389	0.0805
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0114	0.3959	0.3957
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0016	0.0349	0.0808
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.136	0.3075
Mycobacterium ulcerans	hypothetical protein	0.0027	0.0754	0.5421
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0017	0.0389	0.0805
Loa Loa (eye worm)	hypothetical protein	0.002	0.05	0.0654
Mycobacterium tuberculosis	Conserved protein	0.0043	0.1354	0.1351
Brugia malayi	Muscleblind-like protein	0.018	0.6406	0.9133
Mycobacterium tuberculosis	Probable oxidoreductase	0.0127	0.4429	0.4427
Trypanosoma brucei	glucosidase, putative	0.0044	0.136	0.3075
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.1354	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.02	0.0251
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.1354	0.2225
Entamoeba histolytica	acyl-coA synthetase, putative	0.0027	0.0754	0.1658
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0017	0.0389	0.0386
Trichomonas vaginalis	alpha-glucosidase, putative	0.0016	0.0349	0.0808
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.02	0.0251
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0044	0.0041
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0017	0.0389	0.0805
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.02	0.0294
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0017	0.0389	0.0495
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0124	0.4325	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.05	0.0654
Leishmania major	trypanothione reductase	0.005	0.1595	0.3622
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.136	0.3146
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0114	0.3959	0.8929
Brugia malayi	CXXC zinc finger family protein	0.003	0.0856	0.1165
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.02	0.0294
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0044	0.136	0.3146
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.002	0.05	1
Toxoplasma gondii	ABC1 family protein	0.0043	0.1354	0.3059
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0016	0.0349	0.0808
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0016	0.0349	0.0808
Onchocerca volvulus		0.0027	0.0754	0.1818
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.002	0.05	0.3481
Loa Loa (eye worm)	hypothetical protein	0.0012	0.02	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0012	0.02	0.0223
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.0124	0.4325	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.1354	0.3059
Plasmodium falciparum	thioredoxin reductase	0.0017	0.0389	0.0805
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0044	0.136	0.1913
Mycobacterium tuberculosis	Probable reductase	0.0114	0.3959	0.3957
Echinococcus granulosus	muscleblind protein	0.018	0.6406	0.9136
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.02	0.0398
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.02	0.0223
Trichomonas vaginalis	alpha-glucosidase, putative	0.0016	0.0349	0.0808
Trypanosoma cruzi	trypanothione reductase, putative	0.0017	0.0389	0.0805
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0087	0.0062
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.02	0.0223
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0017	0.0389	0.0805
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.02	0.0223
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.1354	0.313
Mycobacterium tuberculosis	Conserved protein	0.0043	0.1354	0.1351
Trichomonas vaginalis	glutathione reductase, putative	0.0017	0.0389	0.0899
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.1354	0.2987
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.02	0.0251
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0016	0.0349	0.0713
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0016	0.0349	0.0713
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0027	0.0754	0.5421
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0017	0.0389	0.0805
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.02	0.0223
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.02	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1354	0.188
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.02	0.0251
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.02	0.0294
Brugia malayi	beta-lactamase family protein	0.0043	0.1354	0.188
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.0124	0.4325	1
Onchocerca volvulus		0.0043	0.1354	0.3354
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1788	0.2952
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0017	0.0389	0.2631
Toxoplasma gondii	NADPH-glutathione reductase	0.0017	0.0389	0.0805
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0754	0.5421
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.701	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1788	0.2525
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0389	0.0805
Onchocerca volvulus		0.0043	0.1354	0.3354
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0389	0.0805
Leishmania major	hypothetical protein, conserved	0.0043	0.1354	0.3059
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0044	0.136	0.3075
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0754	0.1019
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.02	0.0223
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0754	0.1019
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.0754	0.1619
Brugia malayi	Ubiquitin conjugating enzyme protein 13	0.0124	0.4325	0.6145
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0092	0.0097
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.1354	0.1351
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0389	0.5
Schistosoma mansoni	acetyl-CoA synthetase	0.0008	0.0044	0.0034
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0754	0.5421
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.1354	0.1351
Onchocerca volvulus		0.003	0.0856	0.2078
Plasmodium falciparum	thioredoxin reductase	0.005	0.1595	0.3622
Brugia malayi	Thioredoxin reductase	0.005	0.1595	0.2226
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.1354	0.1351
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0027	0.0754	0.0751
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0092	0.0068
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.02	0.0223
Schistosoma mansoni	alpha-glucosidase	0.0169	0.5999	1
Schistosoma mansoni	cpg binding protein	0.0032	0.0919	0.1497
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0017	0.0389	0.0805
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0008	0.0044	0.0041
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0013	0.0219	0.0251
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0017	0.0389	0.0805
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.02	0.0294
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.02	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1354	0.188
Plasmodium vivax	acyl-CoA synthetase, putative	0.002	0.05	0.1065
Echinococcus granulosus	neutral alpha glucosidase AB	0.0044	0.136	0.1913
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0197	0.701	1
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.0124	0.4325	1
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0754	0.1019
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0754	0.1658
Trichomonas vaginalis	alpha-glucosidase, putative	0.0016	0.0349	0.0808
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0389	0.0805
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1354	0.188
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.0754	0.1619
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.02	0.0223
Trichomonas vaginalis	antibiotic synthetase, putative	0.0008	0.0044	0.0103
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0013	0.0219	0.0251
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0389	0.0805
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.02	0.0251
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0027	0.0754	0.0751
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.136	0.3075
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.1354	0.1351
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.02	0.0251
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.02	0.0251
Trichomonas vaginalis	antibiotic synthetase, putative	0.0008	0.0044	0.0103
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.1354	0.1903
Trichomonas vaginalis	alpha-glucosidase, putative	0.0016	0.0349	0.0808
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0016	0.0349	0.0713
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.02	0.0223
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.02	0.0223
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0459	0.0456
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0459	0.0456
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0027	0.0754	0.5421
Loa Loa (eye worm)	hypothetical protein	0.002	0.05	0.0654
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.02	0.0251
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0044	0.136	0.3146
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0754	0.1658
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.02	0.0251
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1788	0.2503
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1354	0.188
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.02	0.0251
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0008	0.0044	0.0041
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0389	0.0805
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0008	0.0044	0.0029
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.1354	0.313
Trichomonas vaginalis	alpha-glucosidase, putative	0.0016	0.0349	0.0808
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.02	0.0223
Loa Loa (eye worm)	hypothetical protein	0.0012	0.02	0.0223
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0044	0.136	0.3146
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.02	0.0223
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0064	0.2096	0.3468
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.136	0.3146
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.136	0.3146
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0124	0.4325	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.1354	0.1351
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.02	0.0251
Onchocerca volvulus	Uncharacterized family 31 glucosidase KIAA1161 homolog	0.0016	0.0349	0.0781
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.1354	0.2225
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0114	0.3959	0.3957
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.136	0.3146
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.1354	0.1903
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0044	0.136	0.3075
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0044	0.136	0.3146
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0114	0.3959	0.3957
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1788	0.2503
Schistosoma mansoni	alpha-glucosidase	0.0169	0.5999	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.02	0.0223
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.1354	0.1351
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.02	0.0294
Leishmania major	alpha glucosidase II subunit, putative	0.0044	0.136	0.3075
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0754	0.1019
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0017	0.0389	0.0805
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0754	0.1019
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.02	0.0294
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0017	0.0389	0.0522
Trichomonas vaginalis	mercuric reductase, putative	0.0017	0.0389	0.0899
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0044	0.0041
Trypanosoma cruzi	trypanothione reductase, putative	0.005	0.1595	0.3622
Trypanosoma brucei	glycosyl hydrolase-like protein	0.0016	0.0349	0.0713
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0856	0.1165
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.02	0.0398
Schistosoma mansoni	cpg binding protein	0.003	0.0856	0.1392
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.0124	0.4325	0.6145
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.02	0.0251
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.02	0.0294
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1788	0.2525
Toxoplasma gondii	thioredoxin reductase	0.005	0.1595	0.3622
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.02	0.0223
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0754	0.1658
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1788	0.2525
Plasmodium vivax	glutathione reductase, putative	0.005	0.1595	0.3622
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0754	0.5421
Schistosoma mansoni	cpg binding protein	0.0032	0.0919	0.1497
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.02	0.0251
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.02	0.0251
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0124	0.4325	1
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0044	0.136	0.3075
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.02	0.0223
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0124	0.4325	0.6145
Loa Loa (eye worm)	hypothetical protein	0.0012	0.02	0.0223
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.02	0.0251
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0017	0.0389	0.0805
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0027	0.0754	0.5421
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0127	0.4429	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0044	0.136	0.1889
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.02	0.0223
Onchocerca volvulus		0.0114	0.3949	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.02	0.0223
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.02	0.0251
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0754	0.1658
Plasmodium falciparum	acyl-CoA synthetase	0.002	0.05	0.1065
Brugia malayi	nuclear receptor NHR-88	0.0012	0.02	0.0223
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0124	0.4325	1
Trichomonas vaginalis	esterase, putative	0.0043	0.1354	0.313
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.02	0.0223
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.1354	0.313
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0017	0.0389	0.2631
Loa Loa (eye worm)	glutathione reductase	0.005	0.1595	0.2226
Loa Loa (eye worm)	hypothetical protein	0.002	0.05	0.0654
Echinococcus multilocularis	cpg binding protein	0.0032	0.0919	0.1281
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.0124	0.4325	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0017	0.0389	0.0805
Brugia malayi	glutathione reductase	0.005	0.1595	0.2226
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.02	0.0251
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0124	0.4325	0.6145
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.02	0.0223
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.1354	0.1351
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0008	0.0044	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1354	0.188
Echinococcus granulosus	thioredoxin glutathione reductase	0.005	0.1595	0.2248
Brugia malayi	steroid hormone receptor	0.0012	0.02	0.0223
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0754	0.1658
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.0124	0.4325	1
Brugia malayi	nuclear hormone receptor	0.0012	0.02	0.0223
Loa Loa (eye worm)	hypothetical protein	0.018	0.6406	0.9133
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0017	0.0389	0.2631
Echinococcus granulosus	lysosomal alpha glucosidase	0.0197	0.701	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0017	0.0389	0.0805
Echinococcus multilocularis	muscleblind protein	0.018	0.6406	0.9136
Mycobacterium leprae	Probable lipase LipE	0.0043	0.1354	0.2987
Mycobacterium tuberculosis	Conserved protein	0.0043	0.1354	0.1351

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (binding)	0.3162 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 0.631 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)	= 1.2589 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ]	ChEMBL.	No reference
Potency (functional)	= 1.2589 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	7.9433 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)	9.285 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)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 28.1838 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)	35.4813 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: CHEMBL1342471

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1254311