TDR Targets

Basic information

Technical information

TDR Targets ID: 1404511
Name: (5E)-5-[(3-methylthiophen-2-yl)methylidene]-3 -(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidi ne-2,4-dione
MW: 352.429 | Formula: C15H16N2O4S2
H donors: 0 H acceptors: 3 LogP: 1.61 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCOCC1)CN1C(=O)S/C(=C/c2sccc2C)/C1=O
InChi: 1S/C15H16N2O4S2/c1-10-2-7-22-11(10)8-12-14(19)17(15(20)23-12)9-13(18)16-3-5-21-6-4-16/h2,7-8H,3-6,9H2,1H3/b12-8+
InChiKey: OLOYJWGZHYRLTP-XYOKQWHBSA-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

(5E)-5-[(3-methyl-2-thienyl)methylene]-3-(2-morpholino-2-oxo-ethyl)thiazolidine-2,4-dione
(5E)-5-[(3-methyl-2-thienyl)methylene]-3-(2-morpholino-2-oxoethyl)thiazolidine-2,4-dione
(5E)-3-(2-keto-2-morpholino-ethyl)-5-[(3-methyl-2-thienyl)methylene]thiazolidine-2,4-quinone
(5E)-5-[(3-methylthiophen-2-yl)methylidene]-3-(2-morpholin-4-yl-2-oxo-ethyl)-1,3-thiazolidine-2,4-dione
SMR000161142
5-[(3-methyl-2-thienyl)methylene]-3-[2-(4-morpholinyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
MLS000545869
AN-989/41696340
ZINC01012864

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 1, subfamily A, polypeptide 2	Starlite/ChEMBL	No references
Homo sapiens	Rap guanine nucleotide exchange factor (GEF) 4	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	N-terminal motif family protein	Get druggable targets OG5_131726	All targets in OG5_131726
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	Get druggable targets OG5_131726	All targets in OG5_131726
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131726	All targets in OG5_131726
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Cytochrome P450 family protein	cytochrome P450, family 1, subfamily A, polypeptide 2	516 aa	470 aa	26.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0191	0.1158
Brugia malayi	Peptidase family M1 containing protein	0.0036	0.0317	0.1001
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.005	0.0157
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0008	0.0023	0.0028
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.0017	0.0053
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0036	0.0317	1
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0036	0.0317	0.0456
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0007	0.0017	0.0096
Echinococcus granulosus	muscleblind protein	0.018	0.1797	0.2579
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.005	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0017	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0023	0.0033
Trypanosoma brucei	Aminopeptidase M1, putative	0.0036	0.0317	1
Schistosoma mansoni	dep domain containing protein	0.0011	0.0055	0.0078
Onchocerca volvulus		0.0011	0.0055	0.0174
Brugia malayi	Muscleblind-like protein	0.018	0.1797	0.5663
Brugia malayi	hypothetical protein	0.0314	0.3173	1
Loa Loa (eye worm)	hypothetical protein	0.0218	0.2183	0.3134
Brugia malayi	nuclear hormone receptor	0.001	0.005	0.0157
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.005	0.0071
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0036	0.0317	0.0456
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.005	0.0071
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0007	0.0017	0.0096
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.005	0.0071
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.005	0.0157
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.005	0.005
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0036	0.0317	0.0456
Schistosoma mansoni	ras GTP exchange factor	0.0008	0.0023	0.0033
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.005	0.0071
Schistosoma mansoni	guanine-nucleotide-exchange-factor	0.0008	0.0023	0.0033
Brugia malayi	N-terminal motif family protein	0.0008	0.0023	0.0072
Schistosoma mansoni	dishevelled	0.0011	0.0055	0.0078
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0017	0.0096
Onchocerca volvulus		0.0036	0.0317	0.1387
Echinococcus granulosus	rap guanine nucleotide exchange factor 1	0.0008	0.0023	0.0033
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.005	0.0071
Toxoplasma gondii	aminopeptidase N protein	0.0036	0.0317	1
Brugia malayi	nuclear receptor NHR-88	0.001	0.005	0.0157
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0036	0.0317	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0023	0.0201
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0191	0.1158
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0119	0.0684
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.0007	0.0017	0.0096
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0023	0.0201
Brugia malayi	hypothetical protein	0.0036	0.0317	0.1001
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0036	0.0317	0.0456
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0023	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0129	0.0185
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0129	0.0746
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0007	0.0017	0.0096
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0008	0.0023	0.0201
Schistosoma mansoni	coup transcription factor	0.001	0.005	0.0071
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0007	0.0017	0.0053
Brugia malayi	steroid hormone receptor	0.001	0.005	0.0157
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.005	0.0157
Brugia malayi	Peptidase family M1 containing protein	0.0036	0.0317	0.1001
Echinococcus multilocularis	regulator of G protein signaling 7	0.0011	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0055	0.0078
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0023	0.0201
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.005	0.0071
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0036	0.0317	0.0317
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0007	0.0017	0.0096
Echinococcus multilocularis	ras GTP exchange factor	0.0008	0.0023	0.0023
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.005	0.0157
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0129	0.3727
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0011	0.0055	0.0078
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0017	0.0096
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.0017	0.0053
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0036	0.0317	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0191	0.5805
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0191	0.1158
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0008	0.0023	0.0033
Schistosoma mansoni	camp-dependent rap1 guanine-nucleotide exchange factor	0.0007	0.0019	0.0027
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0036	0.0317	0.0456
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0036	0.0317	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0017	0.0096
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0007	0.0017	0.0096
Schistosoma mansoni	hypothetical protein	0.0058	0.0542	0.0779
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0007	0.0017	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0129	0.0185
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0191	0.0603
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.005	0.0157
Loa Loa (eye worm)	hypothetical protein	0.018	0.1797	0.2579
Echinococcus multilocularis	segment polarity protein dishevelled	0.0011	0.0055	0.0055
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0011	0.0055	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0023	0.0033
Brugia malayi	RasGEF domain containing protein	0.0008	0.0023	0.0072
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0023	0.0201
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.005	0.0071
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0017	0.0096
Echinococcus multilocularis	rap guanine nucleotide exchange factor 6	0.0008	0.0023	0.0023
Onchocerca volvulus		0.0058	0.0542	0.2426
Echinococcus multilocularis	son of sevenless 1	0.0008	0.0023	0.0023
Echinococcus multilocularis	muscleblind protein 1	0.018	0.1797	0.1797
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0017	0.0096
Onchocerca volvulus		0.0036	0.0317	0.1387
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0036	0.0317	0.0456
Trypanosoma cruzi	aminopeptidase, putative	0.0036	0.0317	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.005	0.0151
Echinococcus granulosus	regulator of G protein signaling 7	0.0011	0.0055	0.0078
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.005	0.0071
Brugia malayi	Peptidase family M1 containing protein	0.0036	0.0317	0.1001
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.005	0.0071
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0684	0.6966	1
Echinococcus granulosus	FTZ F1 alpha	0.001	0.005	0.0071
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0191	0.5805
Toxoplasma gondii	aminopeptidase N, putative	0.0036	0.0317	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0036	0.0317	0.0456
Loa Loa (eye worm)	hypothetical protein	0.001	0.005	0.0071
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0011	0.0055	0.0078
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0007	0.0017	0.0062
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0036	0.0317	0.0317
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0129	0.0778
Echinococcus granulosus	Protein son of sevenless	0.0008	0.0023	0.0033
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0017	0.0062
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0191	0.5805
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0119	0.0684
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.005	0.0071
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0191	0.1158
Echinococcus multilocularis	regulator of G protein signaling 7	0.0011	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0191	0.0275
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.005	0.0071
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0017	0.0096
Brugia malayi	ecdysteroid receptor	0.001	0.005	0.0157
Loa Loa (eye worm)	oxidoreductase	0.0007	0.0017	0.0024
Schistosoma mansoni	regulator of G protein signaling	0.0011	0.0055	0.0078
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.005	0.0157
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0007	0.0017	0.0024
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0191	0.5805
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.2877	0.2877
Schistosoma mansoni	dishevelled	0.0011	0.0055	0.0078
Schistosoma mansoni	z-protein (S1r protein)	0.0011	0.0055	0.0078
Loa Loa (eye worm)	hypothetical protein	0.001	0.005	0.0071
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0007	0.0017	0.0053
Trichomonas vaginalis	ras GTP exchange factor, son of sevenless, putative	0.0008	0.0023	0.0201
Brugia malayi	N-terminal motif family protein	0.0008	0.0023	0.0072
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0218	0.2183	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0317	0.0456
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0191	0.1158
Trypanosoma brucei	aminopeptidase, putative	0.0036	0.0317	1
Trypanosoma cruzi	aminopeptidase, putative	0.0036	0.0317	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.005	0.0071
Loa Loa (eye worm)	aminopeptidase N	0.0036	0.0317	0.0456
Trypanosoma cruzi	hypothetical protein	0.0008	0.0023	0.0201
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0023	0.0201
Onchocerca volvulus		0.0024	0.0191	0.0805
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.005	0.0157
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0036	0.0317	1
Schistosoma mansoni	nuclear hormone receptor	0.001	0.005	0.0071
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0684	0.6966	0.6966
Echinococcus multilocularis	segment polarity protein dishevelled	0.0011	0.0055	0.0055
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.005	0.0157
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.005	0.0157
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.005	0.0071
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.005	0.0157
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0007	0.0017	0.0062
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.005	0.005
Echinococcus granulosus	segment polarity protein dishevelled	0.0011	0.0055	0.0078
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.0017	0.0053
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0036	0.0317	1
Echinococcus multilocularis	aminopeptidase N	0.0036	0.0317	0.0317
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0023	0.0201
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0036	0.0317	0.0317
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0036	0.0317	0.0317
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0017	0.0096
Echinococcus granulosus	segment polarity protein dishevelled	0.0011	0.0055	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0129	0.0185
Mycobacterium ulcerans	aminopeptidase N PepN	0.0036	0.0317	0.1926
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0036	0.0317	0.0456
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0119	0.0684
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.005	0.0071
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0191	1
Brugia malayi	RasGEF domain containing protein	0.0008	0.0023	0.0072
Onchocerca volvulus		0.0036	0.0317	0.1387
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0008	0.0023	0.0033
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.005	0.0157
Brugia malayi	regulator of G-protein signaling egl-10	0.0011	0.0055	0.0172
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0008	0.0023	0.0033
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0191	0.1158
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0191	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0191	0.0275
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0007	0.0017	0.0062
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0007	0.0017	0.0096
Loa Loa (eye worm)	hypothetical protein	0.018	0.1797	0.2579
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.005	0.005
Mycobacterium ulcerans	acyl-CoA synthetase	0.0007	0.0017	0.0096
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0036	0.0317	1
Loa Loa (eye worm)	hypothetical protein	0.0286	0.2877	0.413
Loa Loa (eye worm)	hypothetical protein	0.001	0.005	0.0071
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0011	0.0055	0.0174
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.005	0.005
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0036	0.0317	1
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.005	0.0151
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0542	0.0779
Loa Loa (eye worm)	hypothetical protein	0.001	0.005	0.0071
Loa Loa (eye worm)	hypothetical protein	0.001	0.005	0.0071
Loa Loa (eye worm)	hypothetical protein	0.001	0.005	0.0071
Brugia malayi	TATA binding protein associated factor	0.0036	0.0317	0.1001
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.005	0.0157
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0036	0.0317	0.0456
Brugia malayi	N-terminal motif family protein	0.0218	0.2183	0.6881
Echinococcus multilocularis	Protein son of sevenless	0.0008	0.0023	0.0023
Echinococcus granulosus	ras GTP exchange factor	0.0008	0.0023	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0129	0.0185
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.005	0.0071
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0684	0.6966	1
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0165	0.1644	1
Trypanosoma cruzi	hypothetical protein	0.0008	0.0023	0.0201
Mycobacterium ulcerans	acetyl-CoA synthetase	0.0007	0.0017	0.0096
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0191	0.1158
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0007	0.0017	0.0017
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.005	0.0151
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0007	0.0017	0.0062
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0011	0.0055	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0055	0.0078
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0007	0.0017	0.0062
Trypanosoma cruzi	guanine nucleotide releasing protein, putative	0.0008	0.0023	0.0201
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0023	0.0201
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.005	0.0071
Schistosoma mansoni	acetyl-CoA synthetase	0.0007	0.0017	0.0024
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0129	0.3727
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0191	0.0603
Echinococcus granulosus	regulator of G protein signaling 7	0.0011	0.0055	0.0078
Mycobacterium ulcerans	aminopeptidase N PepN	0.0036	0.0317	0.1926
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0007	0.0017	0.0024
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.005	0.005
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0165	0.1644	1
Loa Loa (eye worm)	DIX domain-containing protein	0.0011	0.0055	0.0078
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0007	0.0017	0.0062
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0036	0.0317	0.0317
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0036	0.0317	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0191	0.0603
Entamoeba histolytica	hypothetical protein	0.0008	0.0023	0.0201
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.005	0.0071
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0007	0.0017	0.0096
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0129	0.0185
Brugia malayi	hypothetical protein	0.0036	0.0317	0.1001
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.005	0.0157
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0007	0.0017	0.0024
Loa Loa (eye worm)	hypothetical protein	0.001	0.005	0.0071
Trichomonas vaginalis	guanine nucleotide exchange factor, putative	0.0008	0.0023	0.0201
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.005	0.005
Onchocerca volvulus		0.001	0.005	0.0151
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0023	0.0201
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0036	0.0317	1
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0036	0.0317	1
Schistosoma mansoni	thyroid hormone receptor	0.001	0.005	0.0071
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.005	0.005
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0036	0.0317	0.0317
Brugia malayi	hypothetical protein	0.0286	0.2877	0.9067
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0036	0.0317	1
Echinococcus granulosus	rap guanine nucleotide exchange factor 6	0.0008	0.0023	0.0033
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0011	0.0055	0.0172
Toxoplasma gondii	aminopeptidase n, putative	0.0036	0.0317	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.005	0.0071
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0023	0.0201
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0129	0.5
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0036	0.0317	0.0456
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.005	0.0071
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.005	0.0071
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0036	0.0317	1
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0008	0.0023	0.0033
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.005	0.0071
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.005	0.0071
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0191	0.1127
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0008	0.0023	0.0033
Toxoplasma gondii	hypothetical protein	0.0011	0.0055	0.1253
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0023	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0191	0.0275
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.005	0.005
Echinococcus multilocularis	muscleblind protein	0.018	0.1797	0.1797
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0011	0.0055	0.0055
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.005	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0317	0.0456
Brugia malayi	hypothetical protein	0.0011	0.0055	0.0172
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.005	0.0157
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0017	0.0062
Brugia malayi	RasGEF domain containing protein	0.0008	0.0023	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0317	0.0456
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0542	0.171
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.2877	0.413
Brugia malayi	DIX domain containing protein	0.0011	0.0055	0.0172
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0191	0.1158
Trypanosoma brucei	Aminopeptidase M1, putative	0.0036	0.0317	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.005	0.005
Echinococcus granulosus	son of sevenless 1	0.0008	0.0023	0.0033
Echinococcus granulosus	aminopeptidase N	0.0036	0.0317	0.0456
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0055	0.0078
Echinococcus multilocularis	rap guanine nucleotide exchange factor 1	0.0008	0.0023	0.0023
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0191	0.1127
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.0017	0.0053
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0036	0.0317	0.0456
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.005	0.0071
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0017	0.0062
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.005	0.0157
Onchocerca volvulus		0.0008	0.0023	0.0028
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0036	0.0317	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.005	0.0071
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.005	0.0157
Brugia malayi	hypothetical protein	0.0011	0.0055	0.0172
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0036	0.0317	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0023	0.0201
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0119	0.0684
Entamoeba histolytica	aminopeptidase, putative	0.0036	0.0317	1
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0017	0.0062
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0036	0.0317	1
Schistosoma mansoni	thyroid hormone receptor	0.001	0.005	0.0071
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0684	0.6966	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0008	0.0023	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0017	0.0024
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0191	0.5805
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0008	0.0023	0.0033
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0036	0.0317	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0191	0.5805
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0008	0.0023	0.0201
Loa Loa (eye worm)	TATA binding protein associated factor	0.0036	0.0317	0.0456
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0036	0.0317	1

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 7.943282347 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
Potency (functional)	= 0.5012 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	14.1254 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.3564 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (binding)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2): primary screen. (Class of assay: confirmatory)	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: CHEMBL1542383

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1404511