TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 422.497 | Formula: C23H22N2O4S
H donors: 3 H acceptors: 5 LogP: 4.17 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CC(c1csc(n1)/C=C/c1cccc(c1)NC(=O)C(c1ccccc1C(=O)O)O)C
InChi: 1S/C23H22N2O4S/c1-14(2)19-13-30-20(25-19)11-10-15-6-5-7-16(12-15)24-22(27)21(26)17-8-3-4-9-18(17)23(28)29/h3-14,21,26H,1-2H3,(H,24,27)(H,28,29)/b11-10+
InChiKey: QCVVRVSQBSTARO-ZHACJKMWSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Entamoeba histolytica	hypothetical protein	0.0027	0.0384	1
Onchocerca volvulus	Peroxidase homolog	0.0116	0.2961	1
Brugia malayi	Animal haem peroxidase family protein	0.0116	0.2961	1
Schistosoma mansoni	hypothetical protein	0.0025	0.0317	0.0173
Echinococcus granulosus	neural cadherin	0.0025	0.0317	0.0173
Echinococcus multilocularis	neural cadherin	0.0025	0.0317	0.0173
Schistosoma mansoni	notch	0.0025	0.0317	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2961	0.2736
Schistosoma mansoni	notch	0.0025	0.0317	0.0173
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.114	0.0856
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0139	0.3647	1
Schistosoma mansoni	ran	0.0025	0.0311	0.0166
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0025	0.0317	0.1072
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0025	0.0311	0.1565
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007
Trypanosoma cruzi	trypanothione reductase, putative	0.0055	0.1192	1
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0025	0.0317	0.0173
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0055	0.1192	0.2985
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0019	0.0147	0.0497
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0025	0.0317	0.0173
Plasmodium vivax	thioredoxin reductase, putative	0.0055	0.1192	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0019	0.0147	0.5
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0125	0.324	0.8837
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0384	1
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2961	0.2736
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.114	0.1007
Trichomonas vaginalis	importin beta-1, putative	0.0027	0.0384	1
Schistosoma mansoni	slit	0.0025	0.0317	0.0173
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.114	0.1007
Echinococcus granulosus	protein jagged 1	0.0025	0.0317	0.0173
Giardia lamblia	High cysteine protein	0.0025	0.0317	1
Schistosoma mansoni	hypothetical protein	0.0025	0.0317	0.0173
Loa Loa (eye worm)	blistered cuticle protein 3	0.0116	0.2961	0.2736
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2961	0.2736
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2961	0.2736
Brugia malayi	RNA, U transporter 1	0.0095	0.2365	0.7987
Schistosoma mansoni	notch	0.0025	0.0317	0.0173
Plasmodium falciparum	importin beta, putative	0.0033	0.0568	0.4029
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0019	0.0147	0.5
Schistosoma mansoni	laminin gamma-3 chain	0.0025	0.0317	0.0173
Onchocerca volvulus	Peroxidasin homolog	0.0116	0.2961	1
Trichomonas vaginalis	ran, putative	0.0025	0.0311	0.6913
Echinococcus multilocularis	notch	0.0025	0.0317	0.0173
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0025	0.0311	0.1565
Brugia malayi	Animal haem peroxidase family protein	0.0116	0.2961	1
Brugia malayi	Delta serrate ligand family protein	0.0025	0.0317	0.1072
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0025	0.0311	0.1565
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0357	1	1
Leishmania major	trypanothione reductase	0.0055	0.1192	1
Loa Loa (eye worm)	Notch2	0.0025	0.0317	0.0007
Leishmania major	GTP-binding protein, putative	0.0025	0.0311	0.1565
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0384	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0139	0.3647	1
Echinococcus granulosus	geminin	0.0197	0.5322	0.5252
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0019	0.0147	0.5
Onchocerca volvulus	Peroxidase homolog	0.0116	0.2961	1
Loa Loa (eye worm)	animal heme peroxidase	0.0116	0.2961	0.2736
Echinococcus multilocularis	protein jagged 2	0.0025	0.0317	0.0173
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.114	0.1007
Echinococcus granulosus	protein jagged 1	0.0025	0.0317	0.0173
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0568	0.4029
Loa Loa (eye worm)	animal heme peroxidase	0.0116	0.2961	0.2736
Echinococcus granulosus	importin subunit beta 1	0.0033	0.0568	0.0427
Plasmodium vivax	glutathione reductase, putative	0.0055	0.1192	1
Schistosoma mansoni	hypothetical protein	0.0025	0.0317	0.0173
Loa Loa (eye worm)	notch protein	0.0025	0.0317	0.0007
Onchocerca volvulus		0.0116	0.2961	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0568	0.4029
Echinococcus granulosus	protein jagged 2	0.0025	0.0317	0.0173
Treponema pallidum	NADH oxidase	0.0019	0.0147	0.5
Schistosoma mansoni	notch	0.0025	0.0317	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0139	0.3647	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007
Echinococcus granulosus	neurogenic locus notch protein	0.0025	0.0317	0.0173
Schistosoma mansoni	hypothetical protein	0.0025	0.0317	0.0173
Onchocerca volvulus	Chorion peroxidase homolog	0.0116	0.2961	1
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2961	0.2736
Echinococcus granulosus	neurogenic locus notch protein	0.0025	0.0317	0.0173
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0125	0.324	0.8837
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007
Brugia malayi	Cadherin domain containing protein	0.0025	0.0317	0.1072
Schistosoma mansoni	hypothetical protein	0.0025	0.0317	0.0173
Echinococcus granulosus	neurogenic locus protein delta	0.0025	0.0317	0.0173
Toxoplasma gondii	thioredoxin reductase	0.0055	0.1192	1
Echinococcus granulosus	neurogenic locus notch protein 4	0.0025	0.0317	0.0173
Plasmodium falciparum	thioredoxin reductase	0.0055	0.1192	1
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2961	0.2736
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0019	0.0147	0.5
Brugia malayi	Thioredoxin reductase	0.0055	0.1192	0.4024
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2961	0.2736
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0025	0.0311	0.9599
Brugia malayi	EGF-like domain containing protein	0.0025	0.0317	0.1072
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007
Schistosoma mansoni	cell polarity protein	0.0025	0.0317	0.0173
Echinococcus multilocularis	neurogenic locus protein delta	0.0025	0.0317	0.0173
Onchocerca volvulus	Peroxidasin homolog	0.0116	0.2961	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007
Echinococcus granulosus	peroxidasin	0.0116	0.2961	0.2856
Schistosoma mansoni	hypothetical protein	0.0025	0.0317	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007
Brugia malayi	EGF-like domain containing protein	0.0025	0.0317	0.1072
Brugia malayi	Peroxidasin	0.0116	0.2961	1
Echinococcus multilocularis	neurogenic locus protein delta	0.0025	0.0317	0.0173
Brugia malayi	EGF-like domain containing protein	0.0025	0.0317	0.1072
Toxoplasma gondii	HEAT repeat-containing protein	0.0033	0.0568	0.4029
Brugia malayi	glutathione reductase	0.0055	0.1192	0.4024
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.114	0.1007
Schistosoma mansoni	peroxidasin	0.0116	0.2961	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007
Brugia malayi	Cadherin domain containing protein	0.0025	0.0317	0.1072
Echinococcus multilocularis	geminin	0.0197	0.5322	0.5252
Mycobacterium tuberculosis	Probable reductase	0.0125	0.324	0.8837
Brugia malayi	Animal haem peroxidase family protein	0.0116	0.2961	1
Loa Loa (eye worm)	animal heme peroxidase	0.0116	0.2961	0.2736
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2961	0.2736
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2961	0.2736
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007
Brugia malayi	Importin beta-1 subunit	0.0033	0.0568	0.1918
Echinococcus multilocularis	slit 2 protein	0.0025	0.0317	0.0173
Schistosoma mansoni	notch	0.0025	0.0317	0.0173
Onchocerca volvulus	Dual oxidase homolog	0.0116	0.2961	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0025	0.0317	0.1072
Trypanosoma brucei	trypanothione reductase	0.0055	0.1192	1
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2961	0.2736
Echinococcus granulosus	notch	0.0025	0.0317	0.0173
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0025	0.0311	0.1565
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0025	0.0311	0.0166
Echinococcus granulosus	slit 2 protein	0.0025	0.0317	0.0173
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0027	0.0384	0.2264
Brugia malayi	hypothetical protein	0.0116	0.2961	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0025	0.0317	0.1072
Mycobacterium tuberculosis	Probable dehydrogenase	0.0125	0.324	0.8837
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.114	0.1007
Toxoplasma gondii	EGF family domain-containing protein	0.0025	0.0317	0.1631
Loa Loa (eye worm)	glutathione reductase	0.0055	0.1192	0.0909
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007
Echinococcus multilocularis	neurogenic locus notch protein	0.0025	0.0317	0.0173
Echinococcus multilocularis	protein jagged 1	0.0025	0.0317	0.0173
Echinococcus granulosus	thioredoxin glutathione reductase	0.0055	0.1192	0.106
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0025	0.0311	0.1049
Echinococcus multilocularis	peroxidasin	0.0116	0.2961	0.2856
Echinococcus multilocularis	fibropellin Ia	0.0025	0.0317	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007
Schistosoma mansoni	hypothetical protein	0.0025	0.0317	0.0173
Echinococcus multilocularis	neurogenic locus notch protein	0.0025	0.0317	0.0173
Schistosoma mansoni	septate junction protein	0.0025	0.0317	0.0173
Brugia malayi	EGF-like domain containing protein	0.0025	0.0317	0.1072
Brugia malayi	EGF-like domain containing protein	0.0025	0.0317	0.1072
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0055	0.1192	0.106
Schistosoma mansoni	importin beta-1	0.0033	0.0568	0.0427
Onchocerca volvulus		0.0116	0.2961	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0139	0.3647	1
Brugia malayi	Animal haem peroxidase family protein	0.0116	0.2961	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0025	0.0317	0.1072
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0025	0.0311	0.0166
Echinococcus multilocularis	importin subunit beta 1	0.0033	0.0568	0.0427
Plasmodium falciparum	glutathione reductase	0.0055	0.1192	1
Brugia malayi	EGF-like domain containing protein	0.0025	0.0317	0.1072
Onchocerca volvulus		0.0116	0.2961	1
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2961	0.2736
Brugia malayi	notch-like transmembrane receptor	0.0025	0.0317	0.1072
Echinococcus granulosus	delta-like protein 1	0.0025	0.0317	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007
Schistosoma mansoni	ran	0.0025	0.0311	0.0166
Echinococcus granulosus	protein jagged 2	0.0025	0.0317	0.0173
Loa Loa (eye worm)	animal heme peroxidase	0.0116	0.2961	0.2736
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0025	0.0311	0.1565
Plasmodium vivax	importin-beta 2, putative	0.0033	0.0568	0.4029
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0019	0.0147	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0025	0.0311	0.1565
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.114	0.3848
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0125	0.324	0.8837
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.114	0.1007
Brugia malayi	Animal haem peroxidase family protein	0.0116	0.2961	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0019	0.0147	0.5
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0125	0.324	0.8837
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2961	0.2736
Brugia malayi	GCC2 and GCC3 family protein	0.0025	0.0317	0.1072
Brugia malayi	EGF-like domain containing protein	0.0025	0.0317	0.1072
Echinococcus multilocularis	protein jagged 1	0.0025	0.0317	0.0173
Echinococcus granulosus	fibropellin Ia	0.0025	0.0317	0.0173
Echinococcus multilocularis	snurportin 1	0.0357	1	1
Loa Loa (eye worm)	thioredoxin reductase	0.0055	0.1192	0.0909
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0025	0.0317	0.0173
Brugia malayi	Blistered cuticle protein 3	0.0116	0.2961	1
Schistosoma mansoni	hypothetical protein	0.0357	1	1
Leishmania major	importin beta-1 subunit, putative	0.0027	0.0384	0.2264
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0568	0.0266
Schistosoma mansoni	hypothetical protein	0.0197	0.5322	0.5252
Brugia malayi	Muscle positioning protein 4	0.0025	0.0317	0.1072
Schistosoma mansoni	notch	0.0025	0.0317	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2961	0.2736
Schistosoma mansoni	peroxidasin	0.0116	0.2961	0.2856
Schistosoma mansoni	hypothetical protein	0.0197	0.5322	0.5252
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.114	0.1007
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2961	0.2736
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0317	0.0007

Activities

Activity type	Activity value	Assay description	Source	Reference
MPC8 (functional)	= 2.5 ug ml-1	Minimum Potentiation Concentration of EPI required to achieve an 8-fold reduction in antibiotic MIC of AZT against MexAB-OprM pump system in Pseudomonas aeruginosa without horse serum	ChEMBL.	14623001
MPC8 (functional)	= 2.5 ug ml-1	Minimum Potentiation Concentration of EPI required to achieve an 8-fold reduction in antibiotic MIC of levofloxacin against MexABOprMover-expressing strain of P. aeruginosa	ChEMBL.	14623001
MPC8 (functional)	= 40 ug ml-1	Minimum Potentiation Concentration of EPI required to achieve an 8-fold reduction in antibiotic MIC of AZT against MexAB-OprM pump system in Pseudomonas aeruginosa with 10% horse serum	ChEMBL.	14623001
Ratio (functional)	= 16	Ratio of potentiation of aztreonam (AZT) with 10% horse serum to without serum	ChEMBL.	14623001

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: CHEMBL135020

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 232082