TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 353.801 | Formula: C16H20ClN3O4
H donors: 2 H acceptors: 3 LogP: 3.39 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O/N=C/c1n(CCCCOC(=O)c2ccccc2O)cc[n+]1C.[Cl-]
InChi: 1S/C16H19N3O4.ClH/c1-18-9-10-19(15(18)12-17-22)8-4-5-11-23-16(21)13-6-2-3-7-14(13)20;/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3,(H,20,21);1H
InChiKey: DBKFQJTVVDXNRL-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0092	0.1336	0.355
Brugia malayi	Cytochrome P450 family protein	0.0036	0.012	0.0014
Loa Loa (eye worm)	cytochrome P450 family protein	0.0036	0.012	0.0057
Trichomonas vaginalis	chromobox protein, putative	0.0046	0.0341	0.0341
Schistosoma mansoni	retinoic acid receptor RXR	0.0194	0.3567	1
Echinococcus granulosus	chromobox protein 1	0.0076	0.0998	0.2574
Echinococcus granulosus	chromobox protein 1	0.0076	0.0998	0.2574
Plasmodium vivax	thioredoxin reductase, putative	0.0052	0.0466	0.1255
Onchocerca volvulus		0.0118	0.1916	0.1858
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0194	0.3567	1
Echinococcus multilocularis	chromobox protein 1	0.0076	0.0998	0.2574
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0167	0.2965	1
Brugia malayi	dihydrofolate reductase family protein	0.0048	0.0392	0.0331
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0062	0.0686	0.1672
Echinococcus multilocularis	FTZ F1 alpha	0.0194	0.3567	1
Onchocerca volvulus		0.0092	0.1336	0.1274
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0108	0.0108
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0194	0.3567	0.4049
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0108	0.0043
Echinococcus granulosus	thyroid hormone receptor alpha	0.0092	0.1336	0.355
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0194	0.3567	1
Loa Loa (eye worm)	DR-78	0.0092	0.1336	0.1465
Schistosoma mansoni	dihydrofolate reductase	0.0048	0.0392	0.0822
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0194	0.3567	0.4023
Mycobacterium tuberculosis	Probable dehydrogenase	0.0118	0.1905	0.4363
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0194	0.3567	0.3522
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0062	0.0686	0.2025
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0225	0.4228	1
Loa Loa (eye worm)	hypothetical protein	0.0194	0.3567	0.4049
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1336	0.1465
Brugia malayi	nuclear hormone receptor	0.0194	0.3567	0.4023
Schistosoma mansoni	chromobox protein	0.0076	0.0998	0.2574
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0194	0.3567	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.0708	0.3322
Brugia malayi	Nuclear hormone receptor E75	0.0092	0.1336	0.1428
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0094	0.1375	0.3663
Brugia malayi	ecdysteroid receptor	0.0194	0.3567	0.4023
Brugia malayi	Cytochrome P450 family protein	0.0036	0.012	0.0014
Trichomonas vaginalis	chromobox protein, putative	0.0076	0.0998	0.0998
Brugia malayi	hypothetical protein	0.0103	0.1575	0.1706
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0092	0.1336	0.355
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0052	0.0466	0.087
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0063	0.0708	0.1736
Loa Loa (eye worm)	steroid hormone receptor	0.0194	0.3567	0.4049
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1336	0.1465
Echinococcus multilocularis	dihydrofolate reductase	0.0048	0.0392	0.0822
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1336	0.1465
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0118	0.1905	0.4363
Trypanosoma cruzi	trypanothione reductase, putative	0.0052	0.0466	0.1255
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0194	0.3567	0.4023
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0131	0.2191	1
Brugia malayi	hypothetical protein	0.0103	0.1575	0.1706
Echinococcus multilocularis	ecdysone induced protein 78C	0.0194	0.3567	1
Brugia malayi	glutathione reductase	0.0052	0.0466	0.0417
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0103	0.1575	0.424
Loa Loa (eye worm)	glutathione reductase	0.0052	0.0466	0.0458
Brugia malayi	Nuclear hormone receptor-like 1	0.0194	0.3567	0.4023
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0094	0.1375	0.3663
Brugia malayi	hypothetical protein	0.0056	0.0567	0.0534
Loa Loa (eye worm)	nuclear hormone receptor	0.0092	0.1336	0.1465
Brugia malayi	tailless protein	0.0092	0.1336	0.1428
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0194	0.3567	1
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0036	0.012	0.0066
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0194	0.3567	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0194	0.3567	0.4023
Brugia malayi	orphan nuclear receptor NR2E1	0.0092	0.1336	0.1428
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0063	0.0708	0.2103
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1336	0.1465
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0167	0.2965	1
Plasmodium vivax	glutathione reductase, putative	0.0052	0.0466	0.1255
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0194	0.3567	0.4023
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0063	0.0708	0.1736
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0131	0.2191	0.5057
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0431	0.8706	1
Onchocerca volvulus	Bile acid receptor homolog	0.0194	0.3567	0.3522
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0062	0.0686	0.1672
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0194	0.3567	1
Brugia malayi	Heterochromatin protein 1	0.0076	0.0998	0.1035
Brugia malayi	nuclear receptor NHR-67	0.0092	0.1336	0.1428
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0194	0.3567	1
Brugia malayi	nuclear receptor RXR	0.0103	0.1575	0.1706
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0118	0.1916	0.8678
Schistosoma mansoni	thyroid hormone receptor	0.0194	0.3567	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0194	0.3567	0.4049
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0052	0.0466	0.1037
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0194	0.3567	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.0708	0.1736
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0092	0.1336	0.1274
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0108	0.0043
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0271	0.0271
Mycobacterium tuberculosis	Hypothetical protein	0.0056	0.0567	0.1115
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.0708	0.3322
Mycobacterium ulcerans	thymidylate synthase	0.0118	0.1916	1
Echinococcus granulosus	FTZ F1 alpha	0.0194	0.3567	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0092	0.1336	0.1274
Echinococcus multilocularis	nuclear receptor nhr 48	0.0092	0.1336	0.355
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1336	0.1465
Brugia malayi	Cytochrome P450 family protein	0.0077	0.1024	0.1066
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0108	0.0108
Schistosoma mansoni	nuclear receptor nhr-48	0.0092	0.1336	0.355
Chlamydia trachomatis	dihydrofolate reductase	0.0048	0.0392	0.5
Trypanosoma brucei	trypanothione reductase	0.0052	0.0466	0.1255
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0118	0.1916	0.5226
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0194	0.3567	0.4049
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0194	0.3567	0.4049
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0056	0.0567	0.1608
Loa Loa (eye worm)	hypothetical protein	0.0194	0.3567	0.4049
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0194	0.3567	0.4023
Loa Loa (eye worm)	hypothetical protein	0.0194	0.3567	0.4049
Loa Loa (eye worm)	CYP4Cod1	0.0036	0.012	0.0057
Trichomonas vaginalis	esterase, putative	0.0035	0.0108	0.0108
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.1375	0.3663
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0108	0.0043
Schistosoma mansoni	hypothetical protein	0.0167	0.2973	0.8283
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0194	0.3567	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0194	0.3567	0.3522
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0092	0.1336	0.355
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1336	0.1465
Echinococcus granulosus	thymidylate synthase	0.0118	0.1916	0.5226
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0062	0.0686	0.1672
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0103	0.1575	0.424
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0062	0.0686	0.1672
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0118	0.1905	0.4363
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0108	0.0043
Brugia malayi	hypothetical protein	0.0133	0.2235	0.2473
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1575	0.1742
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0048	0.0392	0.1365
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0108	0.0108
Echinococcus multilocularis	thymidylate synthase	0.0118	0.1916	0.5226
Mycobacterium tuberculosis	Probable reductase	0.0118	0.1905	0.4363
Brugia malayi	Nuclear hormone receptor-like 1	0.0103	0.1575	0.1706
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1336	0.1465
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0092	0.1336	0.355
Loa Loa (eye worm)	cytochrome P450 family protein	0.0036	0.012	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1336	0.1465
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0194	0.3567	0.4049
Trichomonas vaginalis	chromobox protein, putative	0.0076	0.0998	0.0998
Schistosoma mansoni	RAR-like nuclear receptor	0.0194	0.3567	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0194	0.3567	1
Trichomonas vaginalis	conserved hypothetical protein	0.0056	0.0567	0.0567
Brugia malayi	steroid hormone receptor	0.0194	0.3567	0.4023
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1336	0.1465
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0194	0.3567	0.4049
Schistosoma mansoni	hypothetical protein	0.0057	0.0572	0.1341
Echinococcus granulosus	ecdysone induced protein 78C	0.0194	0.3567	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0092	0.1336	0.1428
Loa Loa (eye worm)	heterochromatin protein 1	0.0076	0.0998	0.1074
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0194	0.3567	1
Onchocerca volvulus		0.0074	0.0957	0.0893
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0194	0.3567	0.4023
Loa Loa (eye worm)	cytochrome P450 family protein	0.0077	0.1024	0.1104
Brugia malayi	nuclear receptor RXR	0.0092	0.1336	0.1428
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1336	0.1465
Schistosoma mansoni	nuclear hormone receptor	0.0092	0.1336	0.355
Brugia malayi	Nuclear hormone receptor E75	0.0092	0.1336	0.1428
Loa Loa (eye worm)	hypothetical protein	0.0194	0.3567	0.4049
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0092	0.1336	0.355
Schistosoma mansoni	nuclear receptor	0.0092	0.1336	0.355
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.1375	0.3663
Brugia malayi	Pre-SET motif family protein	0.0431	0.8706	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0092	0.1336	0.355
Loa Loa (eye worm)	thymidylate synthase	0.0118	0.1916	0.2137
Schistosoma mansoni	hypothetical protein	0.0167	0.2973	0.8283
Onchocerca volvulus		0.0035	0.0108	0.0038
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0194	0.3567	0.4023
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0194	0.3567	0.4023
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0094	0.1375	0.3663
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0062	0.0686	0.1672
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0103	0.1575	0.1742
Echinococcus granulosus	thioredoxin glutathione reductase	0.0052	0.0466	0.1037
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0194	0.3567	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0094	0.1375	0.3663
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0103	0.1575	0.424
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0108	0.0043
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0094	0.1375	0.151
Brugia malayi	photoreceptor-specific nuclear receptor	0.0194	0.3567	0.4023
Onchocerca volvulus		0.0035	0.0108	0.0038
Echinococcus multilocularis	geminin	0.0167	0.2973	0.8283
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0167	0.2965	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0092	0.1336	0.355
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1575	0.1742
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0046	0.0341	0.0273
Brugia malayi	nuclear receptor NHR-88	0.0194	0.3567	0.4023
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0194	0.3567	0.4023
Brugia malayi	conserved hypotetical protein	0.0092	0.1336	0.1428
Schistosoma mansoni	zinc finger protein	0.0092	0.1336	0.355
Schistosoma mansoni	nuclear hormone receptor	0.0092	0.1336	0.355
Schistosoma mansoni	nuclear hormone receptor	0.0194	0.3567	1
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0271	0.0271
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.006	0.0637	0.1529
Trypanosoma brucei	cytochrome P450, putative	0.0036	0.012	0.0042
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0194	0.3567	0.4023
Brugia malayi	nuclear hormone receptor	0.0092	0.1336	0.1428
Brugia malayi	Nuclear hormone receptor-like 1	0.0103	0.1575	0.1706
Brugia malayi	ecdysone receptor	0.0092	0.1336	0.1428
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0048	0.0392	0.069
Brugia malayi	thymidylate synthase	0.0118	0.1916	0.2103
Brugia malayi	hypothetical protein	0.0092	0.1336	0.1428
Brugia malayi	hypothetical protein	0.0092	0.1336	0.1428
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0194	0.3567	0.4049
Brugia malayi	Dihydrofolate reductase	0.0048	0.0392	0.0331
Brugia malayi	Thioredoxin reductase	0.0052	0.0466	0.0417
Echinococcus granulosus	dihydrofolate reductase	0.0048	0.0392	0.0822
Trichomonas vaginalis	set domain proteins, putative	0.0491	1	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0103	0.1575	0.424
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0074	0.0957	0.2455
Echinococcus multilocularis	chromobox protein 1	0.0076	0.0998	0.2574
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0194	0.3567	0.4023
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1575	0.1742
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1575	0.1742
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0194	0.3567	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0094	0.1375	0.1474
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0108	0.0108
Leishmania major	trypanothione reductase	0.0052	0.0466	0.1255
Echinococcus granulosus	histone lysine methyltransferase setb	0.0062	0.0686	0.1672
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0118	0.1916	0.4388
Loa Loa (eye worm)	hypothetical protein	0.0194	0.3567	0.4049
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0092	0.1336	0.1428
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1336	0.1465
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0092	0.1336	0.355
Toxoplasma gondii	thioredoxin reductase	0.0052	0.0466	0.1255
Mycobacterium tuberculosis	Probable oxidoreductase	0.0131	0.2191	0.5057
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0108	0.0043
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0063	0.0708	0.1458
Echinococcus granulosus	nuclear receptor nhr 48	0.0092	0.1336	0.355
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0194	0.3567	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0194	0.3567	1
Trypanosoma cruzi	cytochrome P450, putative	0.0036	0.012	0.0042
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0194	0.3567	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0194	0.3567	1
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1336	0.1465
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1336	0.1465
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0108	0.0043
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.0708	0.1736
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0092	0.1336	0.355
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0167	0.2965	1
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0048	0.0392	0.1573
Schistosoma mansoni	nuclear receptor	0.0092	0.1336	0.355
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0194	0.3567	0.4023
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0194	0.3567	1
Loa Loa (eye worm)	hypothetical protein	0.0194	0.3567	0.4049
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.0708	0.3322
Onchocerca volvulus		0.0035	0.0108	0.0038
Brugia malayi	Steroid receptor seven-up type 2	0.0194	0.3567	0.4023
Onchocerca volvulus		0.0092	0.1336	0.1274
Leishmania major	cytochrome p450-like protein	0.0036	0.012	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0194	0.3567	0.4049
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1575	0.1742
Toxoplasma gondii	aldehyde dehydrogenase	0.0063	0.0708	0.2103
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0686	0.0713
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0194	0.3567	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0108	0.0043
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0194	0.3567	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.1375	0.3663
Schistosoma mansoni	thyroid hormone receptor	0.0194	0.3567	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0271	0.0232
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0118	0.1905	0.4363
Trypanosoma cruzi	cytochrome P450, putative	0.0036	0.012	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0194	0.3567	0.4049
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0194	0.3567	0.4023
Brugia malayi	chromobox protein homolog 3	0.0043	0.0271	0.019
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0167	0.2965	1
Plasmodium vivax	SET domain protein, putative	0.0062	0.0686	0.2025
Loa Loa (eye worm)	hypothetical protein	0.0347	0.6879	0.7884
Loa Loa (eye worm)	thioredoxin reductase	0.0052	0.0466	0.0458
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0131	0.2191	0.5057
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0118	0.1905	0.8628
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0194	0.3567	1
Brugia malayi	Pre-SET motif family protein	0.0062	0.0686	0.0673
Schistosoma mansoni	coup transcription factor	0.0194	0.3567	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0092	0.1336	0.1465
Loa Loa (eye worm)	dihydrofolate reductase	0.0048	0.0392	0.0373
Schistosoma mansoni	chromobox protein	0.0076	0.0998	0.2574
Trichomonas vaginalis	chromobox protein, putative	0.0046	0.0341	0.0341
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0092	0.1336	0.355
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0167	0.2965	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0118	0.1905	0.4363
Brugia malayi	nuclear receptor NHR-88	0.0092	0.1336	0.1428
Echinococcus granulosus	geminin	0.0167	0.2973	0.8283
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0092	0.1336	0.355
Onchocerca volvulus		0.0194	0.3567	0.3522
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0092	0.1336	0.1428
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0108	0.0108
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0092	0.1336	0.1465
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.0271	0.0202

Activities

Activity type	Activity value	Assay description	Source	Reference
LD50 (ADMET)	= 1.82 mM kg-1	LD50 value determined intramuscularly in mouse	ChEMBL.	2016711
LD50 (ADMET)	= 1.82 mM kg-1	LD50 value determined intramuscularly in mouse	ChEMBL.	2016711
logD (ADMET)	= -0.56	Partition coefficient (logD7.4)	ChEMBL.	2016711
Survival (functional)	= 2	Antidotal activity measured against soman in mice and activity expressed as the no. of survivors noted at 24 h out of population of 10 mice each exposed intramuscularly at the dose 1/4 of 2LD50 of the compound	ChEMBL.	2016711
Survival (functional)	= 0	antidotal activity of the compound was measured against soman in mice and activity expressed as the no. of survivors noted at 24 h out of population of 10 mice each exposed intramuscularly at the dose 1/64 of 2LD50 of the compound	ChEMBL.	2016711
Survival (functional)	= 0	antidotal activity of the compound was measured against tabun in mice and activity expressed as the no. of survivors noted at 24 h out of population of 10 mice each exposed intramuscularly at the dose 1/64 of 2LD50 of the compound	ChEMBL.	2016711
Survival (functional)	= 0	antidotal activity of the compound was measured against tabun in mice and activity expressed as the no. of survivors noted at 24 h out of population of 10 mice each exposed intramuscularly at the dose 1/4 of 2LD50 of the compound	ChEMBL.	2016711
Survival (functional)	= 1	Antidotal activity measured against soman in mice, activity expressed as the no. of survivors noted at 24 h out of population of 10 mice each exposed intramuscularly at the dose 1/16 of 2LD50 of the compound	ChEMBL.	2016711
Survival (functional)	= 1	antidotal activity of the compound was measured against tabun in mice and activity expressed as the no. of survivors noted at 24 h out of population of 10 mice each exposed intramuscularly at the dose 1/16 of 2LD50 of the compound	ChEMBL.	2016711
Survival (functional)	= 2	Antidotal activity measured against soman in mice and activity expressed as the no. of survivors noted at 24 h out of population of 10 mice each exposed intramuscularly at the dose 1/4 of 2LD50 of the compound	ChEMBL.	2016711

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL281010

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 38499