TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 324.438 | Formula: C16H24N2O3S
H donors: 2 H acceptors: 3 LogP: 2.44 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CC(S(=O)(=O)N[C@@H]1CC[C@H](CC1)NC(=O)c1ccccc1)C
InChi: 1S/C16H24N2O3S/c1-12(2)22(20,21)18-15-10-8-14(9-11-15)17-16(19)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3,(H,17,19)/t14-,15-
InChiKey: RUIUEAJAELYKSG-SHTZXODSSA-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
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Mycobacterium ulcerans	homoserine O-acetyltransferase	0.0046	0.0133	0.0074
Entamoeba histolytica	hypothetical protein	0.0046	0.0133	1
Loa Loa (eye worm)	HAD-superfamily hydrolase	0.0043	0.0117	0.013
Mycobacterium ulcerans	haloalkane dehalogenase	0.0046	0.0133	0.0074
Trypanosoma cruzi	hydrolase-like protein	0.0046	0.0133	0.0171
Echinococcus multilocularis	haloacid dehalogenase hydrolase	0.0043	0.0117	0.0134
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Mycobacterium tuberculosis	Probable haloalkane dehalogenase	0.0046	0.0133	0.0133
Brugia malayi	haloacid dehalogenase-like hydrolase family protein	0.0043	0.0117	0.013
Leishmania major	hydrolase-like protein,esterase-like protein	0.0046	0.0133	0.0174
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0149	0.0209
Echinococcus multilocularis	long chain fatty acid transport protein 4	0.0746	0.4364	1
Brugia malayi	Hypothetical 54.7 kDa protein F37A4.1 in chromosome III	0.0046	0.0133	0.0166
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0034	0.0059	0.0059
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0117	0.0058
Entamoeba histolytica	hypothetical protein	0.0043	0.0117	0.7828
Mycobacterium ulcerans	epoxide hydrolase EphE	0.0046	0.0133	0.0074
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0034	0.0059	0.0059
Mycobacterium ulcerans	hypothetical protein	0.0046	0.0133	0.0074
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0034	0.0059	0.0059
Onchocerca volvulus		0.0043	0.0117	0.7828
Echinococcus granulosus	abhydrolase domain containing protein 3	0.0046	0.0133	0.0171
Trypanosoma cruzi	hypothetical protein, conserved	0.0046	0.0133	0.0171
Wolbachia endosymbiont of Brugia malayi	phosphatase	0.0043	0.0117	0.5
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Schistosoma mansoni	family S33 non-peptidase homologue (S33 family)	0.0046	0.0133	0.0171
Mycobacterium ulcerans	hypothetical protein	0.0046	0.0133	0.0074
Mycobacterium ulcerans	hypothetical protein	0.0046	0.0133	0.0074
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Loa Loa (eye worm)	HAD-superfamily hydrolase	0.0043	0.0117	0.013
Mycobacterium ulcerans	peroxidase BpoB	0.0046	0.0133	0.0074
Schistosoma mansoni	2-deoxyglucose-6-phosphate phosphatase	0.0043	0.0117	0.0134
Echinococcus multilocularis	abhydrolase domain containing protein 3	0.0046	0.0133	0.0171
Loa Loa (eye worm)	haloacid dehalogenase-like hydrolase	0.0043	0.0117	0.013
Loa Loa (eye worm)	transcription factor SMAD2	0.0127	0.0624	0.1269
Mycobacterium leprae	POSSIBLE EPOXIDE HYDROLASE EPHE (EPOXIDE HYDRATASE) (ARENE-OXIDE HYDRATASE)	0.0046	0.0133	0.0174
Onchocerca volvulus	Lipase homolog	0.0046	0.0133	1
Leishmania major	hydrolase, alpha/beta fold family-like protein	0.0046	0.0133	0.0174
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Brugia malayi	HAD-superfamily hydrolase, subfamily IA, variant 3 containing protein	0.0043	0.0117	0.013
Entamoeba histolytica	haloacid dehalogenase-like hydrolase domain-containing protein	0.0043	0.0117	0.7828
Loa Loa (eye worm)	hydrolase	0.0046	0.0133	0.0166
Leishmania major	hydrolase, alpha/beta fold family, putative	0.0046	0.0133	0.0174
Entamoeba histolytica	haloacid dehalogenase-like hydrolase domain-containing protein	0.0043	0.0117	0.7828
Plasmodium vivax	haloacid dehalogenase-like hydrolase, putative	0.0043	0.0117	0.7828
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0046	0.0133	1
Mycobacterium ulcerans	haloalkane dehalogenase	0.0046	0.0133	0.0074
Mycobacterium tuberculosis	Probable oxidoreductase	0.0046	0.0133	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0117	0.013
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0034	0.0059	0.0059
Loa Loa (eye worm)	HAD-superfamily hydrolase	0.0043	0.0117	0.013
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Trypanosoma cruzi	hypothetical protein, conserved	0.0046	0.0133	0.0171
Mycobacterium ulcerans	exported protease	0.0046	0.0133	0.0074
Mycobacterium ulcerans	hydrolase	0.0043	0.0117	0.0058
Leishmania major	hypothetical protein, conserved	0.0046	0.0133	0.0174
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0117	0.7828
Entamoeba histolytica	HAD hydrolase, family IA, variant 3	0.0043	0.0117	0.7828
Mycobacterium ulcerans	epoxide hydrolase EphB	0.0046	0.0133	0.0074
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0117	0.7828
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0117	0.7828
Entamoeba histolytica	HAD hydrolase, family IA, variant 3	0.0043	0.0117	0.7828
Entamoeba histolytica	HAD hydrolase, family IA, variant 3	0.0043	0.0117	0.7828
Mycobacterium ulcerans	exported protease	0.0046	0.0133	0.0074
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0046	0.0133	1
Leishmania major	hydrolase-like protein	0.0046	0.0133	0.0174
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Mycobacterium ulcerans	epoxide hydrolase EphF	0.0046	0.0133	0.0074
Mycobacterium tuberculosis	Conserved protein	0.0046	0.0133	0.0133
Brugia malayi	MH2 domain containing protein	0.0127	0.0624	0.1269
Leishmania major	serine peptidase, putative,serine peptidase, Clan SC, Family S9D	0.0046	0.0133	0.0174
Mycobacterium tuberculosis	Possible short-chain dehydrogenase EphD	0.0046	0.0133	0.0133
Mycobacterium ulcerans	hydrolase	0.0046	0.0133	0.0074
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Echinococcus granulosus	haloacid dehalogenase hydrolase	0.0043	0.0117	0.0134
Mycobacterium tuberculosis	Probable exported protease	0.0046	0.0133	0.0133
Mycobacterium leprae	possible long-chain acyl-CoA synthase	0.0736	0.4305	1
Brugia malayi	hydrolase, alpha/beta fold family protein	0.0046	0.0133	0.0166
Echinococcus multilocularis	abhydrolase domain containing protein	0.0046	0.0133	0.0171
Mycobacterium leprae	POSSIBLE SECRETED PROTEASE	0.0046	0.0133	0.0174
Onchocerca volvulus	Lipase homolog	0.0046	0.0133	1
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Treponema pallidum	phosphoglycolate phosphatase	0.0043	0.0117	0.5
Mycobacterium leprae	Probable homoserine o-acetyltransferase MetA	0.0046	0.0133	0.0174
Loa Loa (eye worm)	MH2 domain-containing protein	0.0127	0.0624	0.1269
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Entamoeba histolytica	alpha/beta hydrolase domain protein, putative	0.0046	0.0133	1
Mycobacterium tuberculosis	Possible haloalkane dehalogenase	0.0046	0.0133	0.0133
Plasmodium vivax	hypothetical protein, conserved	0.0046	0.0133	1
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Trypanosoma cruzi	hydrolase, alpha/beta fold family, putative	0.0046	0.0133	0.0171
Mycobacterium tuberculosis	Probable homoserine O-acetyltransferase MetA (homoserine O-trans-acetylase) (homoserine transacetylase) (HTA)	0.0046	0.0133	0.0133
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0736	0.4305	0.4305
Plasmodium falciparum	acid cluster protein 33 homologue, putative	0.0046	0.0133	1
Mycobacterium tuberculosis	Possible phosphatase	0.0043	0.0117	0.0117
Echinococcus multilocularis	haloacid dehalogenase hydrolase	0.0043	0.0117	0.0134
Echinococcus granulosus	abhydrolase domain containing protein	0.0046	0.0133	0.0171
Leishmania major	hypothetical protein, conserved	0.0046	0.0133	0.0174
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0117	0.7828
Plasmodium vivax	alpha/beta hydrolase, putative	0.0046	0.0133	1
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Brugia malayi	Alpha/beta hydrolase	0.0046	0.0133	0.0166
Mycobacterium ulcerans	proline iminopeptidase PIP	0.0046	0.0133	0.0074
Mycobacterium ulcerans	2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD	0.0046	0.0133	0.0074
Loa Loa (eye worm)	ab-hydrolase associated lipase region family protein	0.0046	0.0133	0.0166
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0117	0.0117
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0117	0.7828
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0149	0.0202
Trypanosoma brucei	hydrolase, alpha/beta fold family, putative	0.0046	0.0133	1
Loa Loa (eye worm)	HAD-superfamily hydrolase	0.0043	0.0117	0.013
Mycobacterium tuberculosis	Possible epoxide hydrolase EphE (epoxide hydratase) (arene-oxide hydratase)	0.0046	0.0133	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0133	0.0166
Mycobacterium ulcerans	lipase/esterase	0.0046	0.0133	0.0074
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0117	0.7828
Brugia malayi	haloacid dehalogenase-like hydrolase family protein	0.0043	0.0117	0.013
Leishmania major	fatty acid transporter protein-like protein	0.0736	0.4305	1
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0046	0.0133	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0149	0.0202
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0117	0.7828
Entamoeba histolytica	haloacid dehalogenase-like hydrolase domain-containing protein	0.0043	0.0117	0.7828
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Mycobacterium ulcerans	hydrolase	0.0046	0.0133	0.0074
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0034	0.0059	0.0059
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0149	0.0209
Brugia malayi	hydrolase, alpha/beta fold family protein	0.0046	0.0133	0.0166
Entamoeba histolytica	hypothetical protein	0.0043	0.0117	0.7828
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0059	0.0059
Plasmodium falciparum	haloacid dehalogenase-like hydrolase, putative	0.0043	0.0117	0.7828
Plasmodium vivax	hypothetical protein, conserved	0.0046	0.0133	1
Treponema pallidum	phosphoglycolate phosphatase	0.0043	0.0117	0.5
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0046	0.0133	0.0174
Mycobacterium leprae	Probable hydrolase	0.0043	0.0117	0.0136
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0034	0.0059	0.0059
Brugia malayi	AMP-binding enzyme family protein	0.077	0.4509	1
Schistosoma mansoni	FFA transport protein	0.0746	0.4364	1
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Brugia malayi	haloacid dehalogenase-like hydrolase family protein	0.0043	0.0117	0.013
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.077	0.4509	1
Echinococcus multilocularis	lysosomal acid lipase:cholesteryl ester	0.0046	0.0133	0.0171
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Mycobacterium tuberculosis	Possible peroxidase BpoB (non-haem peroxidase)	0.0046	0.0133	0.0133
Mycobacterium ulcerans	hydrolase	0.0043	0.0117	0.0058
Mycobacterium leprae	Probable exported protease	0.0046	0.0133	0.0174
Brugia malayi	HAD-superfamily hydrolase, subfamily IA, variant 1 containing protein	0.0043	0.0117	0.013
Trypanosoma cruzi	hydrolase-like protein, putative	0.0046	0.0133	0.0171
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0746	0.4364	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0059	0.0059
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0117	0.7828
Mycobacterium ulcerans	acyl-CoA synthetase	0.0056	0.0191	0.0133
Echinococcus granulosus	abhydrolase domain containing protein 11	0.0046	0.0133	0.0171
Echinococcus granulosus	long chain fatty acid transport protein 4	0.0746	0.4364	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0046	0.0133	1
Brugia malayi	alpha/beta hydrolase	0.0046	0.0133	0.0166
Chlamydia trachomatis	phosphoglycolate phosphatase	0.0043	0.0117	0.5
Echinococcus multilocularis	abhydrolase domain containing protein 11	0.0046	0.0133	0.0171
Trypanosoma cruzi	hydrolase-like protein, putative	0.0046	0.0133	0.0171
Entamoeba histolytica	HAD hydrolase, family IA, variant 3	0.0043	0.0117	0.7828
Echinococcus multilocularis	abhydrolase domain containing protein 16A	0.0046	0.0133	0.0171
Leishmania major	hydrolase-like protein,esterase-like protein	0.0046	0.0133	0.0174
Entamoeba histolytica	HAD hydrolase, family IA, variant 3	0.0043	0.0117	0.7828
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0133	0.0166
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0149	0.0209
Trypanosoma brucei	hydrolase, alpha/beta fold family, putative	0.0046	0.0133	1
Plasmodium vivax	hypothetical protein, conserved	0.0046	0.0133	1
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.077	0.4509	0.4477
Giardia lamblia	ENC6 protein	0.0046	0.0133	1
Toxoplasma gondii	homoserine O-acetyltransferase, putative	0.0046	0.0133	1
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0059	0.0059
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0046	0.0133	1
Echinococcus granulosus	haloacid dehalogenase hydrolase	0.0043	0.0117	0.0134
Mycobacterium tuberculosis	Possible haloalkane dehalogenase DhaA (1-chlorohexane halidohydrolase)	0.0046	0.0133	0.0133
Mycobacterium ulcerans	bromoperoxidase BpoC	0.0046	0.0133	0.0074
Trichomonas vaginalis	hydrolase, putative	0.0046	0.0133	1
Mycobacterium leprae	Probable exported protease	0.0046	0.0133	0.0174
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Mycobacterium ulcerans	hypothetical protein	0.0046	0.0133	0.0074
Loa Loa (eye worm)	abhydrolase domain-containing protein 2	0.0046	0.0133	0.0166
Mycobacterium ulcerans	lipase/esterase	0.0046	0.0133	0.0074
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0059	0.0059
Schistosoma mansoni	choline dehydrogenase	0.0043	0.0117	0.0134
Toxoplasma gondii	alpha/beta hydrolase, putative	0.0046	0.0133	1
Mycobacterium tuberculosis	Possible epoxide hydrolase EphF (epoxide hydratase) (arene-oxide hydratase)	0.0046	0.0133	0.0133
Loa Loa (eye worm)	haloacid dehalogenase-like hydrolase	0.0043	0.0117	0.013
Trypanosoma cruzi	hypothetical protein, conserved	0.0046	0.0133	0.0171
Brugia malayi	UPF0017 protein CG3488	0.0046	0.0133	0.0166
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0046	0.0133	1
Schistosoma mansoni	hydrolase	0.0046	0.0133	0.0171
Onchocerca volvulus		0.0043	0.0117	0.7828
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0746	0.4364	1
Trypanosoma cruzi	glycosyl hydrolase, putative	0.0043	0.0117	0.0134
Entamoeba histolytica	HAD hydrolase, family IA, variant 3	0.0043	0.0117	0.7828
Brugia malayi	haloacid dehalogenase-like hydrolase family protein	0.0043	0.0117	0.013
Plasmodium falciparum	epoxide hydrolase 1	0.0046	0.0133	1
Mycobacterium ulcerans	non-heme haloperoxidase Hpx	0.0046	0.0133	0.0074
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0117	0.7828
Mycobacterium tuberculosis	Probable carboxylesterase CaeA	0.0046	0.0133	0.0133
Echinococcus multilocularis	lysosomal acid lipase:cholesteryl ester	0.0046	0.0133	0.0171
Mycobacterium ulcerans	short chain dehydrogenase	0.0046	0.0133	0.0074
Onchocerca volvulus	Epoxide hydrolase 1 homolog	0.0046	0.0133	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0046	0.0133	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0149	0.0209
Mycobacterium ulcerans	lignin peroxidase LipJ	0.0046	0.0133	0.0074
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0034	0.0059	0.0059
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0149	0.0209
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0043	0.0117	0.0117
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0046	0.0133	1
Trichomonas vaginalis	2-deoxyglucose-6-phosphate phosphatase, putative	0.0043	0.0117	0.7828
Echinococcus multilocularis	abhydrolase domain containing 3	0.0046	0.0133	0.0171
Mycobacterium ulcerans	epoxide hydrolase EphA	0.1678	1	1
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0117	0.0058
Mycobacterium ulcerans	oxidoreductase	0.0046	0.0133	0.0074
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0059	0.0059
Echinococcus granulosus	lysosomal acid lipase:cholesteryl ester	0.0046	0.0133	0.0171
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0034	0.0059	0.0059
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0149	0.0209
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0149	0.0209
Entamoeba histolytica	alpha/beta hydrolase fold protein, putative	0.0046	0.0133	1
Mycobacterium tuberculosis	Protein tyrosine kinase transcriptional regulatory protein PtkA	0.0043	0.0117	0.0117

Activities

Activity type	Assay description	Source	Reference
Activity (functional)	Antiamnesic activity in mouse assessed as reversal of scopolamine-induced memory loss at 10 mg/kg, ip treated 20 mins before training session by passive avoidance test	ChEMBL.	18954993
Activity (ADMET)	Toxicity in mouse assessed as spontaneous motility and inspection activity after 5 mins by hole board test	ChEMBL.	18954993
Activity (ADMET)	Toxicity in mouse assessed as motor coordination after 45 mins by rotarod test	ChEMBL.	18954993

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.

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External resources for this compound

ChEMBL: CHEMBL451299

Bibliographic References

No literature references available for this target.

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Detailed information for compound 951483