TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 418.85 | Formula: C16H12ClN2NaO4S2
H donors: 1 H acceptors: 5 LogP: 3.89 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: C[C@H]([C@H]1C(=O)N2[C@@H]1CC(=C2C(=O)[O-])Sc1nc2c(s1)ccc(c2)Cl)O.[Na+]
InChi: 1S/C16H13ClN2O4S2.Na/c1-6(20)12-9-5-11(13(15(22)23)19(9)14(12)21)25-16-18-8-4-7(17)2-3-10(8)24-16;/h2-4,6,9,12,20H,5H2,1H3,(H,22,23);/q;+1/p-1/t6-,9-,12-;/m1./s1
InChiKey: GAFLLOGBRMQURD-UUFYHIJSSA-M

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

Species	Target name	Source	Bibliographic reference
Staphylococcus aureus	Penicillin-binding protein 2a	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsI	Get druggable targets OG5_133524	All targets in OG5_133524
Mycobacterium ulcerans	penicillin-binding protein PbpA	Get druggable targets OG5_133524	All targets in OG5_133524
Mycobacterium tuberculosis	Probable penicillin-binding protein PbpA	Get druggable targets OG5_133524	All targets in OG5_133524
Treponema pallidum	penicillin-binding protein (pbp-1)	Get druggable targets OG5_133524	All targets in OG5_133524
Mycobacterium leprae	Probable penicillin-binding protein PbpA	Get druggable targets OG5_133524	All targets in OG5_133524
Chlamydia trachomatis	transglycolase/transpeptidase	Get druggable targets OG5_133524	All targets in OG5_133524

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 multilocularis	rhodopsin orphan GPCR	0.0081	0.0139	0.0243
Brugia malayi	hypothetical protein	0.0081	0.0139	0.0139
Echinococcus multilocularis	neuropeptide Y receptor	0.0081	0.0139	0.0243
Echinococcus granulosus	dro:myosuppressin receptor	0.0081	0.0139	0.0243
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0261	0.1358	0.2382
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0081	0.0139	0.0243
Brugia malayi	hypothetical protein	0.0081	0.0139	0.0139
Echinococcus multilocularis	g-protein coupled receptor	0.0081	0.0139	0.0243
Echinococcus multilocularis	g protein coupled receptor	0.0081	0.0139	0.0243
Toxoplasma gondii	aldose reductase, putative	0.0902	0.5702	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Schistosoma mansoni	neuropeptide receptor	0.0081	0.0139	0.0243
Schistosoma mansoni	biogenic amine receptor	0.0081	0.0139	0.0243
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0081	0.0139	0.0243
Schistosoma mansoni	amine GPCR	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Echinococcus multilocularis	aldo keto reductase	0.0902	0.5702	1
Onchocerca volvulus		0.0081	0.0139	0.0243
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0902	0.5702	1
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0261	0.1358	0.5
Echinococcus multilocularis	serotonin receptor	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Schistosoma mansoni	aldo-keto reductase	0.0902	0.5702	1
Brugia malayi	hypothetical protein	0.0081	0.0139	0.0139
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0081	0.0139	0.0243
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0081	0.0139	0.0243
Schistosoma mansoni	amine GPCR	0.0081	0.0139	0.0243
Brugia malayi	AKH receptor	0.0081	0.0139	0.0139
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0081	0.0139	0.0243
Mycobacterium leprae	Possible oxidoreductase	0.0261	0.1358	0.0153
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0081	0.0139	0.0243
Echinococcus multilocularis	neuropeptides capa receptor	0.0081	0.0139	0.0243
Onchocerca volvulus		0.0081	0.0139	0.0243
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0902	0.5702	0.5702
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0902	0.5702	0.5702
Brugia malayi	hypothetical protein	0.0081	0.0139	0.0139
Brugia malayi	putative neuropeptide receptor	0.0081	0.0139	0.0139
Schistosoma mansoni	hypothetical protein	0.0081	0.0139	0.0243
Echinococcus granulosus	biogenic amine 5HT receptor	0.0081	0.0139	0.0243
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0902	0.5702	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0081	0.0139	0.0243
Echinococcus multilocularis	somatostatin receptor	0.0081	0.0139	0.0243
Onchocerca volvulus		0.0081	0.0139	0.0243
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0081	0.0139	0.0243
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0081	0.0139	0.0243
Trichomonas vaginalis	aldo-keto reductase, putative	0.0902	0.5702	1
Echinococcus multilocularis	serotonin receptor	0.0081	0.0139	0.0243
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0081	0.0139	0.0243
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0081	0.0139	0.0243
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0081	0.0139	0.0139
Onchocerca volvulus		0.0081	0.0139	0.0243
Brugia malayi	NADH-dependent xylose reductase	0.0261	0.1358	0.1358
Onchocerca volvulus		0.0081	0.0139	0.0243
Echinococcus multilocularis	G protein coupled receptor 139	0.0081	0.0139	0.0243
Echinococcus granulosus	hypothetical protein	0.0902	0.5702	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0081	0.0139	0.0243
Schistosoma mansoni	neuropeptide receptor	0.0081	0.0139	0.0243
Echinococcus multilocularis	neuropeptide receptor	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Onchocerca volvulus		0.0902	0.5702	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0081	0.0139	0.0243
Schistosoma mansoni	potassium channel beta	0.0261	0.1358	0.2382
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0081	0.0139	0.0243
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0081	0.0139	0.0243
Trichomonas vaginalis	aldo-keto reductase, putative	0.0902	0.5702	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0902	0.5702	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0081	0.0139	0.0243
Brugia malayi	G-protein coupled receptor	0.0081	0.0139	0.0139
Leishmania major	aldo-keto reductase-like protein	0.0902	0.5702	1
Echinococcus granulosus	g-protein coupled receptor	0.0081	0.0139	0.0243
Trypanosoma cruzi	aldo/keto reductase, putative	0.0902	0.5702	1
Trypanosoma brucei	prostaglandin f synthase	0.0902	0.5702	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0902	0.5702	1
Brugia malayi	hypothetical protein	0.0081	0.0139	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Brugia malayi	sulfakinin receptor protein	0.0081	0.0139	0.0139
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0081	0.0139	0.0243
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0081	0.0139	0.0243
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0902	0.5702	1
Echinococcus granulosus	g protein coupled receptor	0.0081	0.0139	0.0243
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0081	0.0139	0.0243
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0081	0.0139	0.0243
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0261	0.1358	0.2382
Plasmodium vivax	aldehyde reductase, putative	0.0261	0.1358	0.5
Mycobacterium tuberculosis	Conserved protein	0.0261	0.1358	0.0153
Brugia malayi	G protein-coupled receptor	0.0081	0.0139	0.0139
Brugia malayi	G protein-coupled receptor F59B2.13	0.0081	0.0139	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Echinococcus multilocularis	neuropeptide Y receptor	0.0081	0.0139	0.0243
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0081	0.0139	0.0243
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0081	0.0139	0.0243
Echinococcus multilocularis	aldo keto reductase	0.0902	0.5702	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0902	0.5702	1
Giardia lamblia	Aldose reductase	0.0902	0.5702	1
Onchocerca volvulus		0.0081	0.0139	0.0243
Trypanosoma brucei	aldo-keto reductase, putative	0.0902	0.5702	1
Echinococcus multilocularis	orexin receptor type 2	0.0081	0.0139	0.0243
Echinococcus granulosus	neuropeptide Y receptor	0.0081	0.0139	0.0243
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0081	0.0139	0.0243
Echinococcus multilocularis	aldo keto reductase	0.0902	0.5702	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Loa Loa (eye worm)	oxidoreductase	0.0902	0.5702	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Schistosoma mansoni	myosin xvIII	0.0081	0.0139	0.0243
Onchocerca volvulus		0.0902	0.5702	1
Mycobacterium ulcerans	oxidoreductase	0.0902	0.5702	1
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Trichomonas vaginalis	aldo/keto reductase, putative	0.0902	0.5702	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Trichomonas vaginalis	aldo-keto reductase, putative	0.0902	0.5702	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Plasmodium falciparum	aldo-keto reductase, putative	0.0261	0.1358	0.5
Echinococcus granulosus	aldehyde reductase	0.0641	0.3931	0.6893
Onchocerca volvulus		0.0261	0.1358	0.2382
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0081	0.0139	0.0243
Onchocerca volvulus		0.0081	0.0139	0.0243
Loa Loa (eye worm)	neuropeptide F receptor	0.0081	0.0139	0.0243
Leishmania major	prostaglandin f synthase, putative	0.0902	0.5702	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Schistosoma mansoni	biogenic amine receptor	0.0081	0.0139	0.0243
Brugia malayi	hypothetical protein	0.0081	0.0139	0.0139
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0081	0.0139	0.0243
Onchocerca volvulus		0.0081	0.0139	0.0243
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0902	0.5702	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0902	0.5702	1
Onchocerca volvulus		0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Echinococcus granulosus	rhodopsin orphan GPCR	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Echinococcus granulosus	aldo keto reductase	0.0902	0.5702	1
Brugia malayi	hypothetical protein	0.0081	0.0139	0.0139
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0081	0.0139	0.0243
Mycobacterium leprae	Conserved hypothetical protein	0.0641	0.3931	0.5985
Schistosoma mansoni	amine GPCR	0.0081	0.0139	0.0243
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0902	0.5702	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0902	0.5702	1
Brugia malayi	hypothetical protein	0.0081	0.0139	0.0139
Mycobacterium ulcerans	hypothetical protein	0.0261	0.1358	0.127
Mycobacterium tuberculosis	Possible penicillin-binding lipoprotein	0.0371	0.2103	0.1841
Echinococcus granulosus	allatostatin A receptor	0.0081	0.0139	0.0243
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0081	0.0139	0.0243
Onchocerca volvulus		0.0902	0.5702	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0081	0.0139	0.0243
Echinococcus granulosus	neuropeptides capa receptor	0.0081	0.0139	0.0243
Echinococcus multilocularis	aldehyde reductase	0.0641	0.3931	0.6893
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Trichomonas vaginalis	aldo-keto reductase, putative	0.0902	0.5702	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0902	0.5702	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0902	0.5702	0.5702
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0081	0.0139	0.0243
Loa Loa (eye worm)	neuropeptide F receptor	0.0081	0.0139	0.0243
Schistosoma mansoni	opsin-like receptor	0.0081	0.0139	0.0243
Echinococcus granulosus	tm gpcr rhodopsin	0.0081	0.0139	0.0243
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0902	0.5702	1
Brugia malayi	G-protein coupled receptor	0.0081	0.0139	0.0139
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Entamoeba histolytica	aldose reductase, putative	0.0902	0.5702	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Echinococcus multilocularis	neuropeptide receptor A26	0.0081	0.0139	0.0243
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0902	0.5702	1
Schistosoma mansoni	adenoreceptor	0.0081	0.0139	0.0243
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0081	0.0139	0.0139
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Schistosoma mansoni	aldo-keto reductase	0.0902	0.5702	1
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0261	0.1358	0.1358
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0081	0.0139	0.0243
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0081	0.0139	0.0243
Echinococcus multilocularis	fmrfamide receptor	0.0081	0.0139	0.0243
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0081	0.0139	0.0139
Mycobacterium ulcerans	penicillin-binding lipoprotein	0.0371	0.2103	0.2767
Giardia lamblia	Aldose reductase	0.0902	0.5702	1
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0081	0.0139	0.0139
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0902	0.5702	1
Echinococcus multilocularis	aldo keto reductase	0.0902	0.5702	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0081	0.0139	0.0243
Brugia malayi	Dopamine receptor protein 1	0.0081	0.0139	0.0139
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Echinococcus granulosus	aldo keto reductase	0.0902	0.5702	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0081	0.0139	0.0243
Echinococcus granulosus	aldo keto reductase	0.0902	0.5702	1
Mycobacterium ulcerans	penicillin-binding protein PbpA	0.0251	0.1291	0.1135
Echinococcus granulosus	orexin receptor type 2	0.0081	0.0139	0.0243
Echinococcus granulosus	somatostatin receptor	0.0081	0.0139	0.0243
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0081	0.0139	0.0243
Trichomonas vaginalis	aldo/keto reductase, putative	0.0902	0.5702	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0081	0.0139	0.0243
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0081	0.0139	0.0243
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0081	0.0139	0.0243
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0081	0.0139	0.0243
Trichomonas vaginalis	aldo-keto reductase, putative	0.0902	0.5702	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Schistosoma mansoni	hypothetical protein	0.0081	0.0139	0.0243
Brugia malayi	hypothetical protein	0.0081	0.0139	0.0139
Loa Loa (eye worm)	melatonin receptor type 1A	0.0081	0.0139	0.0243
Schistosoma mansoni	neuropeptide receptor	0.0081	0.0139	0.0243
Echinococcus granulosus	tm gpcr rhodopsin	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Onchocerca volvulus		0.0081	0.0139	0.0243
Loa Loa (eye worm)	TYRA-2 protein	0.0081	0.0139	0.0243
Echinococcus multilocularis	neuropeptide s receptor	0.0081	0.0139	0.0243
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Onchocerca volvulus		0.0902	0.5702	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Treponema pallidum	penicillin-binding protein (pbp-1)	0.0376	0.2138	1
Echinococcus granulosus	neuropeptide Y receptor	0.0081	0.0139	0.0243
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0902	0.5702	1
Schistosoma mansoni	hypothetical protein	0.0081	0.0139	0.0243
Brugia malayi	Dopamine receptor protein 2	0.0081	0.0139	0.0139
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0081	0.0139	0.0243
Trichomonas vaginalis	aldo-keto reductase, putative	0.0261	0.1358	0.2201
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0081	0.0139	0.0243
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0081	0.0139	0.0243
Echinococcus granulosus	hypothetical protein	0.0081	0.0139	0.0243
Trichomonas vaginalis	aldo-keto reductase, putative	0.0902	0.5702	1
Onchocerca volvulus		0.0081	0.0139	0.0243
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0081	0.0139	0.0139
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0902	0.5702	1
Brugia malayi	putative neuropeptide receptor NPR1	0.0081	0.0139	0.0139
Echinococcus granulosus	g protein coupled receptor	0.0081	0.0139	0.0243
Loa Loa (eye worm)	oxidoreductase	0.0902	0.5702	1
Trichomonas vaginalis	conserved hypothetical protein	0.0261	0.1358	0.2201
Onchocerca volvulus		0.0902	0.5702	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0081	0.0139	0.0243
Echinococcus granulosus	neuropeptide receptor A26	0.0081	0.0139	0.0243
Echinococcus multilocularis	sex peptide receptor	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Onchocerca volvulus		0.0081	0.0139	0.0243
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0081	0.0139	0.0243
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0902	0.5702	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0902	0.5702	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0902	0.5702	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0902	0.5702	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0081	0.0139	0.0243
Schistosoma mansoni	amine GPCR	0.0081	0.0139	0.0243
Echinococcus granulosus	tm gpcr rhodopsin	0.0081	0.0139	0.0243
Brugia malayi	RE15519p	0.0081	0.0139	0.0139
Mycobacterium tuberculosis	Probable oxidoreductase	0.0902	0.5702	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0081	0.0139	0.0243
Schistosoma mansoni	hypothetical protein	0.0081	0.0139	0.0243
Brugia malayi	neuropeptide F receptor	0.0081	0.0139	0.0139
Brugia malayi	follicle stimulating hormone receptor	0.0081	0.0139	0.0139
Echinococcus multilocularis	fmrfamide receptor	0.0081	0.0139	0.0243
Echinococcus multilocularis	neuropeptide receptor	0.0081	0.0139	0.0243
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0081	0.0139	0.0243
Echinococcus granulosus	serotonin receptor	0.0081	0.0139	0.0243
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0902	0.5702	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0902	0.5702	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0081	0.0139	0.0243
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0081	0.0139	0.0243
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0261	0.1358	0.2382
Schistosoma mansoni	growth hormone secretagogue receptor	0.0081	0.0139	0.0243
Echinococcus granulosus	neuropeptide receptor	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Schistosoma mansoni	opsin-like receptor	0.0081	0.0139	0.0243
Entamoeba histolytica	aldose reductase, putative	0.0902	0.5702	1
Onchocerca volvulus		0.0081	0.0139	0.0243
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsI	0.0376	0.2138	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0081	0.0139	0.0243
Schistosoma mansoni	biogenic amine receptor	0.0081	0.0139	0.0243
Brugia malayi	Dopamine receptor	0.0081	0.0139	0.0139
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0902	0.5702	1
Onchocerca volvulus		0.0081	0.0139	0.0243
Echinococcus multilocularis	g protein coupled receptor	0.0081	0.0139	0.0243
Trichomonas vaginalis	aldo-keto reductase, putative	0.0902	0.5702	1
Entamoeba histolytica	aldose reductase, putative	0.0902	0.5702	1
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0261	0.1358	0.2201
Onchocerca volvulus		0.0081	0.0139	0.0243
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Trichomonas vaginalis	aldo-keto reductase, putative	0.0261	0.1358	0.2201
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Echinococcus multilocularis	neuropeptides capa receptor	0.0081	0.0139	0.0243
Schistosoma mansoni	neuropeptide receptor	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Echinococcus granulosus	fmrfamide receptor	0.0081	0.0139	0.0243
Chlamydia trachomatis	transglycolase/transpeptidase	0.0376	0.2138	0.5
Brugia malayi	Serotonin receptor	0.0081	0.0139	0.0139
Echinococcus granulosus	G protein coupled receptor 139	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0081	0.0139	0.0243
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0081	0.0139	0.0243
Loa Loa (eye worm)	oxidoreductase	0.0902	0.5702	1
Plasmodium falciparum	aldehyde reductase, putative	0.0261	0.1358	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.0081	0.0139	0.0243
Echinococcus multilocularis	g protein coupled receptor	0.0081	0.0139	0.0243
Brugia malayi	neuropeptide F receptor	0.0081	0.0139	0.0139
Echinococcus granulosus	rhodopsin orphan GPCR	0.0081	0.0139	0.0243
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0081	0.0139	0.0243
Echinococcus multilocularis	allatostatin A receptor	0.0081	0.0139	0.0243
Brugia malayi	Melatonin receptor type 1A	0.0081	0.0139	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0081	0.0139	0.0243
Echinococcus granulosus	neuropeptide receptor	0.0081	0.0139	0.0243
Trichomonas vaginalis	aldo/keto reductase, putative	0.0902	0.5702	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.0081	0.0139	0.0243
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0902	0.5702	1
Trypanosoma cruzi	aldo-keto reductase	0.0902	0.5702	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0261	0.1358	0.2201
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0081	0.0139	0.0243
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0081	0.0139	0.0243
Brugia malayi	ORL1-like opioid receptor	0.0081	0.0139	0.0139
Brugia malayi	hypothetical protein	0.0081	0.0139	0.0139
Trichomonas vaginalis	aldo-keto reductase, putative	0.0902	0.5702	1
Loa Loa (eye worm)	oxidoreductase	0.0902	0.5702	1
Echinococcus granulosus	voltage gated potassium channel subunit	0.0261	0.1358	0.2382
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0081	0.0139	0.0243
Brugia malayi	larval opioid receptor	0.0081	0.0139	0.0139
Schistosoma mansoni	pol-related	0.0902	0.5702	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0081	0.0139	0.0243
Onchocerca volvulus		0.0081	0.0139	0.0243
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0902	0.5702	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0902	0.5702	0.5702
Trichomonas vaginalis	aldo-keto reductase, putative	0.0902	0.5702	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0081	0.0139	0.0243
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0081	0.0139	0.0243
Schistosoma mansoni	histamine h1 receptor	0.0081	0.0139	0.0243
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0902	0.5702	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0081	0.0139	0.0243
Echinococcus granulosus	7tm_1 domain containing protein	0.0081	0.0139	0.0243
Echinococcus granulosus	biogenic amine 5HT receptor	0.0081	0.0139	0.0243
Schistosoma mansoni	amine GPCR	0.0081	0.0139	0.0243
Schistosoma mansoni	neuropeptide F-like receptor	0.0081	0.0139	0.0243
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0081	0.0139	0.0139
Brugia malayi	GnHR receptor homolog	0.0081	0.0139	0.0139
Echinococcus granulosus	neuropeptide FF receptor 2	0.0081	0.0139	0.0243
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Onchocerca volvulus		0.0081	0.0139	0.0243
Onchocerca volvulus		0.0902	0.5702	1
Loa Loa (eye worm)	oxidoreductase	0.0902	0.5702	1
Echinococcus granulosus	neuropeptide s receptor	0.0081	0.0139	0.0243
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0902	0.5702	1
Schistosoma mansoni	opsin-like receptor	0.0081	0.0139	0.0243
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0902	0.5702	1
Echinococcus granulosus	sex peptide receptor	0.0081	0.0139	0.0243
Echinococcus granulosus	neuropeptides capa receptor	0.0081	0.0139	0.0243
Echinococcus granulosus	g protein coupled receptor	0.0081	0.0139	0.0243
Echinococcus granulosus	7TM GPCR rhodopsin	0.0081	0.0139	0.0243
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0902	0.5702	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0902	0.5702	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243
Mycobacterium leprae	POSSIBLE PENICILLIN-BINDING LIPOPROTEIN	0.0371	0.2103	0.1841
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0139	0.0243

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.6 ug ml-1	Binding affinity towards Penicillin-binding protein 2a from homogeneous MRSA COL strain using [3H]-radioligand	ChEMBL.	No reference
IC50 (binding)	= 1.6 ug ml-1	Binding affinity towards Penicillin-binding protein 2a from homogeneous MRSA COL strain using [3H]-radioligand	ChEMBL.	No reference
MIC (functional)	= 0.02 ug ml-1	Inhibitory activity against methicillin-sensitive staphylococcus aureus(MSSA)	ChEMBL.	No reference
MIC (functional)	= 0.7 ug ml-1	Inhibitory activity against enterococcus evaluated by computational method	ChEMBL.	No reference
MIC (functional)	= 1.8 ug ml-1	Inhibitory activity against methicillin-resistant staphylococcus aureus(MRSA)	ChEMBL.	No reference
MIC (functional)	= 3.7 ug ml-1	Inhibitory activity against methicillin-resistant coagulase negative staphylococci (MRCNS)	ChEMBL.	No reference
MIC (functional)	= 3.8 ug ml-1	The gram-negative activity is derived from eleven strains selected from seven enteric genera	ChEMBL.	No reference
Susceptibility (binding)	= 1.2	Compound was evaluated for susceptibility to DHP-I (swine kidney enzyme)	ChEMBL.	No reference
Susceptibility (binding)	= 1.2	Compound was evaluated for susceptibility to DHP-I (swine kidney enzyme)	ChEMBL.	No reference

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: CHEMBL287558

Bibliographic References

No literature references available for this target.

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Detailed information for compound 44313