TDR Targets

Basic information

Technical information

TDR Targets ID: 83652
Name: (3R)-2-[4-(4-dimethylaminophenyl)phenyl]sulfo nyl-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-c arboxamide
MW: 451.538 | Formula: C24H25N3O4S
H donors: 2 H acceptors: 4 LogP: 3.24 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: ONC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(cc1)c1ccc(cc1)N(C)C
InChi: 1S/C24H25N3O4S/c1-26(2)21-11-7-17(8-12-21)18-9-13-22(14-10-18)32(30,31)27-16-20-6-4-3-5-19(20)15-23(27)24(28)25-29/h3-14,23,29H,15-16H2,1-2H3,(H,25,28)/t23-/m1/s1
InChiKey: FNUQESAUEFWUCJ-HSZRJFAPSA-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

(3R)-2-[4-(4-dimethylaminophenyl)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	matrix metallopeptidase 8 (neutrophil collagenase)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	matrix metallopeptidase 8 (neutrophil collagenase)	467 aa	467 aa	33.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Dopamine receptor	0.0098	0.0191	0.625
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Schistosoma mansoni	amine GPCR	0.0098	0.0191	0.625
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0098	0.0191	0.625
Onchocerca volvulus		0.0098	0.0191	0.7033
Echinococcus granulosus	rhodopsin orphan GPCR	0.0098	0.0191	0.0191
Brugia malayi	putative neuropeptide receptor	0.0098	0.0191	0.625
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0098	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0048	0.1581
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0098	0.0191	0.625
Entamoeba histolytica	acetyltransferase, GNAT family	0.0039	0.0052	1
Echinococcus multilocularis	neuropeptide receptor	0.0098	0.0191	0.0191
Schistosoma mansoni	growth hormone secretagogue receptor	0.0098	0.0191	0.625
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0047	0.2976
Echinococcus granulosus	rhodopsin orphan GPCR	0.0098	0.0191	0.0191
Onchocerca volvulus		0.0098	0.0191	0.7033
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Schistosoma mansoni	opsin-like receptor	0.0098	0.0191	0.625
Schistosoma mansoni	myosin xvIII	0.0098	0.0191	0.625
Echinococcus granulosus	tm gpcr rhodopsin	0.0098	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0068	0.2224
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0098	0.0191	0.625
Onchocerca volvulus		0.0098	0.0191	0.7033
Brugia malayi	Melatonin receptor type 1A	0.0098	0.0191	0.625
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0068	0.2224
Echinococcus multilocularis	allatostatin A receptor	0.0098	0.0191	0.0191
Echinococcus granulosus	biogenic amine 5HT receptor	0.0098	0.0191	0.0191
Loa Loa (eye worm)	neuropeptide F receptor	0.0098	0.0191	0.625
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0098	0.0191	0.0191
Onchocerca volvulus		0.0098	0.0191	0.7033
Brugia malayi	putative neuropeptide receptor NPR1	0.0098	0.0191	0.625
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.009	0.2943
Echinococcus granulosus	tm gpcr rhodopsin	0.0098	0.0191	0.0191
Schistosoma mansoni	neuropeptide f receptor 76f	0.0098	0.0191	0.625
Onchocerca volvulus		0.0098	0.0191	0.7033
Schistosoma mansoni	hypothetical protein	0.0038	0.0048	0.1581
Echinococcus granulosus	hypothetical protein	0.0098	0.0191	0.0191
Brugia malayi	hypothetical protein	0.0098	0.0191	0.625
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0098	0.0191	0.625
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0146	0.0305	0.0305
Echinococcus granulosus	serotonin receptor	0.0098	0.0191	0.0191
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0068	0.0068
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0068	0.2224
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0098	0.0191	0.625
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Echinococcus multilocularis	G protein coupled receptor 139	0.0098	0.0191	0.0191
Brugia malayi	Matrixin family protein	0.0127	0.0261	0.8551
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Onchocerca volvulus		0.0075	0.0136	0.3431
Echinococcus multilocularis	g protein coupled receptor	0.0098	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Brugia malayi	Matrixin family protein	0.0053	0.0083	0.2738
Schistosoma mansoni	biogenic amine receptor	0.0098	0.0191	0.625
Brugia malayi	RE15519p	0.0098	0.0191	0.625
Onchocerca volvulus		0.0098	0.0191	0.7033
Brugia malayi	ORL1-like opioid receptor	0.0098	0.0191	0.625
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0064	0.0111	0.3631
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.0145	1
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0098	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Onchocerca volvulus		0.0098	0.0191	0.7033
Brugia malayi	Hemopexin family protein	0.0075	0.0136	0.4451
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0047	0.1533
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0098	0.0191	0.0191
Echinococcus multilocularis	neuropeptide receptor	0.0098	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Schistosoma mansoni	neuropeptide F-like receptor	0.0098	0.0191	0.625
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.0145	1
Onchocerca volvulus		0.0098	0.0191	0.7033
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Brugia malayi	G-protein coupled receptor	0.0098	0.0191	0.625
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Brugia malayi	acetyltransferase, GNAT family protein	0.0146	0.0305	1
Schistosoma mansoni	hypothetical protein	0.0098	0.0191	0.625
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0098	0.0191	0.0191
Brugia malayi	Dopamine receptor protein 2	0.0098	0.0191	0.625
Onchocerca volvulus		0.0098	0.0191	0.7033
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0142	0.0295	0.0295
Trichomonas vaginalis	conserved hypothetical protein	0.0059	0.0098	0.6669
Onchocerca volvulus		0.0098	0.0191	0.7033
Schistosoma mansoni	amine GPCR	0.0098	0.0191	0.625
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0098	0.0191	0.0191
Loa Loa (eye worm)	G-protein coupled receptor	0.0098	0.0191	0.625
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.0145	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0043	0.006	0.006
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0047	0.2976
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0098	0.0191	0.0191
Brugia malayi	sulfakinin receptor protein	0.0098	0.0191	0.625
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0098	0.0191	0.625
Echinococcus multilocularis	orexin receptor type 2	0.0098	0.0191	0.0191
Echinococcus granulosus	neuropeptide Y receptor	0.0098	0.0191	0.0191
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0098	0.0191	0.625
Brugia malayi	hypothetical protein	0.0098	0.0191	0.625
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0043	0.006	1
Onchocerca volvulus		0.0098	0.0191	0.7033
Echinococcus multilocularis	neuropeptide s receptor	0.0098	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0098	0.0191	0.625
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.0047	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Brugia malayi	hypothetical protein	0.0098	0.0191	0.625
Loa Loa (eye worm)	acetyltransferase	0.0146	0.0305	1
Echinococcus granulosus	7TM GPCR rhodopsin	0.0098	0.0191	0.0191
Loa Loa (eye worm)	transcription factor SMAD2	0.0126	0.0257	0.8442
Schistosoma mansoni	neuropeptide receptor	0.0098	0.0191	0.625
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0117	0.0236	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0043	0.006	0.3947
Echinococcus granulosus	allatostatin A receptor	0.0098	0.0191	0.0191
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0068	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Echinococcus granulosus	rhodopsin orphan GPCR	0.0098	0.0191	0.0191
Brugia malayi	Serotonin receptor	0.0098	0.0191	0.625
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Loa Loa (eye worm)	neuropeptide F receptor	0.0098	0.0191	0.625
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0047	1
Schistosoma mansoni	amine GPCR	0.0098	0.0191	0.625
Loa Loa (eye worm)	cytochrome P450 family protein	0.003	0.0029	0.0966
Onchocerca volvulus		0.0098	0.0191	0.7033
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0098	0.0191	0.625
Echinococcus granulosus	neuropeptide FF receptor 2	0.0098	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Schistosoma mansoni	neuropeptide receptor	0.0098	0.0191	0.625
Schistosoma mansoni	adenoreceptor	0.0098	0.0191	0.625
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.0145	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.0047	0.0047
Giardia lamblia	NADPH oxidoreductase, putative	0.0079	0.0145	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.002	0.0005	0.0157
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.0145	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0098	0.0191	0.625
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.009	0.2943
Brugia malayi	hypothetical protein	0.0098	0.0191	0.625
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0098	0.0191	0.0191
Loa Loa (eye worm)	melatonin receptor type 1A	0.0098	0.0191	0.625
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.0145	1
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Echinococcus granulosus	neuropeptide receptor	0.0098	0.0191	0.0191
Echinococcus granulosus	neuropeptide Y receptor	0.0098	0.0191	0.0191
Echinococcus granulosus	neuropeptides capa receptor	0.0098	0.0191	0.0191
Echinococcus granulosus	g protein coupled receptor	0.0098	0.0191	0.0191
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0098	0.0191	0.625
Brugia malayi	larval opioid receptor	0.0098	0.0191	0.625
Echinococcus granulosus	neuropeptides capa receptor	0.0098	0.0191	0.0191
Brugia malayi	G protein-coupled receptor F59B2.13	0.0098	0.0191	0.625
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0098	0.0191	0.625
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0068	0.2224
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.0145	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0098	0.0191	0.0191
Schistosoma mansoni	hypothetical protein	0.0075	0.0136	0.4451
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0098	0.0191	0.0191
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0098	0.0191	0.625
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Echinococcus granulosus	g protein coupled receptor	0.0098	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0098	0.0191	0.625
Onchocerca volvulus		0.0098	0.0191	0.7033
Mycobacterium tuberculosis	Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase)	0.4228	1	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0098	0.0191	0.625
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0098	0.0191	0.625
Echinococcus multilocularis	neuropeptides capa receptor	0.0098	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0083	0.2738
Echinococcus granulosus	rhodopsin orphan GPCR	0.0098	0.0191	0.0191
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.0145	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0098	0.0191	0.0191
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0098	0.0191	0.0191
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.0047	0.0047
Echinococcus granulosus	rhodopsin orphan GPCR	0.0098	0.0191	0.0191
Brugia malayi	Matrixin family protein	0.0053	0.0083	0.2738
Echinococcus granulosus	G protein coupled receptor 139	0.0098	0.0191	0.0191
Echinococcus granulosus	fmrfamide receptor	0.0098	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Echinococcus multilocularis	fmrfamide receptor	0.0098	0.0191	0.0191
Onchocerca volvulus		0.0098	0.0191	0.7033
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.0145	1
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0079	0.0145	1
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0098	0.0191	0.625
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Echinococcus granulosus	g-protein coupled receptor	0.0098	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0098	0.0191	0.625
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Echinococcus granulosus	orexin receptor type 2	0.0098	0.0191	0.0191
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0098	0.0191	0.0191
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0053	0.0083	0.2738
Echinococcus granulosus	7tm_1 domain containing protein	0.0098	0.0191	0.0191
Loa Loa (eye worm)	MH2 domain-containing protein	0.0126	0.0257	0.8442
Brugia malayi	follicle stimulating hormone receptor	0.0098	0.0191	0.625
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0098	0.0191	0.625
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0191	0.0413	0.0413
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0098	0.0191	0.625
Onchocerca volvulus		0.0098	0.0191	0.7033
Echinococcus granulosus	dro:myosuppressin receptor	0.0098	0.0191	0.0191
Schistosoma mansoni	amine GPCR	0.0098	0.0191	0.625
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0098	0.0191	0.625
Loa Loa (eye worm)	G-protein coupled receptor	0.0098	0.0191	0.625
Loa Loa (eye worm)	hypothetical protein	0.0055	0.009	0.2943
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0047	1
Brugia malayi	GnHR receptor homolog	0.0098	0.0191	0.625
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0098	0.0191	0.625
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0.0047	0.5
Echinococcus multilocularis	g protein coupled receptor	0.0098	0.0191	0.0191
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0079	0.0145	1
Echinococcus granulosus	neuropeptide receptor A26	0.0098	0.0191	0.0191
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0098	0.0191	0.0191
Brugia malayi	Cytochrome P450 family protein	0.002	0.0005	0.0157
Schistosoma mansoni	hypothetical protein	0.0098	0.0191	0.625
Onchocerca volvulus		0.0098	0.0191	0.7033
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0098	0.0191	0.0191
Plasmodium falciparum	histone acetyltransferase GCN5	0.0039	0.0052	0.5
Echinococcus multilocularis	dro:myosuppressin receptor	0.0098	0.0191	0.0191
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.0145	1
Echinococcus multilocularis	serotonin receptor	0.0098	0.0191	0.0191
Loa Loa (eye worm)	matrixin family protein	0.0127	0.0261	0.8551
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0098	0.0191	0.7033
Brugia malayi	Cytochrome P450 family protein	0.002	0.0005	0.0157
Brugia malayi	G protein-coupled receptor	0.0098	0.0191	0.625
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0068	0.2224
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0083	0.2738
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0098	0.0191	0.625
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0098	0.0191	0.625
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0098	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0043	0.006	0.5
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0047	1
Brugia malayi	hypothetical protein	0.0098	0.0191	0.625
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0098	0.0191	0.0191
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.009	0.2943
Echinococcus granulosus	g protein coupled receptor	0.0098	0.0191	0.0191
Brugia malayi	Dopamine receptor protein 1	0.0098	0.0191	0.625
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0098	0.0191	0.0191
Brugia malayi	neuropeptide F receptor	0.0098	0.0191	0.625
Schistosoma mansoni	hypothetical protein	0.0098	0.0191	0.625
Echinococcus granulosus	sex peptide receptor	0.0098	0.0191	0.0191
Brugia malayi	G-protein coupled receptor	0.0098	0.0191	0.625
Loa Loa (eye worm)	matrix metalloproteinase	0.0053	0.0083	0.2738
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0098	0.0191	0.625
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.0047	0.8908
Echinococcus granulosus	biogenic amine 5HT receptor	0.0098	0.0191	0.0191
Schistosoma mansoni	hypothetical protein	0.0098	0.0191	0.625
Echinococcus multilocularis	fmrfamide receptor	0.0098	0.0191	0.0191
Echinococcus granulosus	neuropeptide receptor	0.0098	0.0191	0.0191
Echinococcus multilocularis	serotonin receptor	0.0098	0.0191	0.0191
Loa Loa (eye worm)	CYP4Cod1	0.002	0.0005	0.0157
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0098	0.0191	0.7033
Mycobacterium leprae	PROBABLE HYDROLASE	0.0064	0.0111	0.0266
Brugia malayi	Inositol-1	0.0037	0.0047	0.1533
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.0047	0.2976
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0098	0.0191	0.0191
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0047	0.1533
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Schistosoma mansoni	amine GPCR	0.0098	0.0191	0.625
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0079	0.0145	1
Schistosoma mansoni	neuropeptide receptor	0.0098	0.0191	0.625
Brugia malayi	hypothetical protein	0.0098	0.0191	0.625
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Giardia lamblia	NADPH oxidoreductase, putative	0.0079	0.0145	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0098	0.0191	0.625
Brugia malayi	Matrixin family protein	0.0053	0.0083	0.2738
Mycobacterium ulcerans	hydrolase	0.0064	0.0111	0.0106
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0068	0.0068
Schistosoma mansoni	neuropeptide F-like receptor	0.0098	0.0191	0.625
Brugia malayi	hypothetical protein	0.0098	0.0191	0.625
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0098	0.0191	0.625
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0098	0.0191	0.625
Brugia malayi	Cytochrome P450 family protein	0.003	0.0029	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Schistosoma mansoni	neuropeptide receptor	0.0098	0.0191	0.625
Loa Loa (eye worm)	cytochrome P450 family protein	0.002	0.0005	0.0157
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0098	0.0191	0.0191
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0098	0.0191	0.625
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0098	0.0191	0.0191
Brugia malayi	Matrixin family protein	0.0053	0.0083	0.2738
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Brugia malayi	neuropeptide F receptor	0.0098	0.0191	0.625
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0098	0.0191	0.625
Echinococcus multilocularis	sex peptide receptor	0.0098	0.0191	0.0191
Brugia malayi	hypothetical protein	0.0098	0.0191	0.625
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0098	0.0191	0.0191
Mycobacterium ulcerans	thymidine phosphorylase	0.4228	1	1
Echinococcus multilocularis	somatostatin receptor	0.0098	0.0191	0.0191
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0098	0.0191	0.0191
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0098	0.0191	0.0191
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0043	0.006	0.3947
Mycobacterium ulcerans	anthranilate phosphoribosyltransferase	0.1193	0.2793	0.2789
Echinococcus multilocularis	neuropeptide Y receptor	0.0098	0.0191	0.0191
Echinococcus multilocularis	g protein coupled receptor	0.0098	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Echinococcus granulosus	rhodopsin orphan GPCR	0.0098	0.0191	0.0191
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0047	1
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0064	0.0111	0.0073
Giardia lamblia	NADPH oxidoreductase, putative	0.0079	0.0145	1
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0098	0.0191	0.0191
Schistosoma mansoni	opsin-like receptor	0.0098	0.0191	0.625
Loa Loa (eye worm)	inositol-1	0.0037	0.0047	0.1533
Echinococcus multilocularis	neuropeptide receptor A26	0.0098	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0146	0.0305	1
Schistosoma mansoni	opsin-like receptor	0.0098	0.0191	0.625
Brugia malayi	MH2 domain containing protein	0.0126	0.0257	0.8442
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0098	0.0191	0.625
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0191	0.0413	0.0413
Echinococcus multilocularis	thymidine phosphorylase	0.4228	1	1
Echinococcus granulosus	somatostatin receptor	0.0098	0.0191	0.0191
Mycobacterium leprae	Probable anthranilate phosphoribosyltransferase TrpD	0.1193	0.2793	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0098	0.0191	0.625
Brugia malayi	hypothetical protein	0.0098	0.0191	0.625
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0098	0.0191	0.625
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0068	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.0145	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0098	0.0191	0.0191
Schistosoma mansoni	biogenic amine receptor	0.0098	0.0191	0.625
Echinococcus multilocularis	neuropeptide Y receptor	0.0098	0.0191	0.0191
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0098	0.0191	0.625
Loa Loa (eye worm)	TYRA-2 protein	0.0098	0.0191	0.625
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0048	0.1581
Brugia malayi	hypothetical protein	0.0098	0.0191	0.625
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0098	0.0191	0.625
Brugia malayi	AKH receptor	0.0098	0.0191	0.625
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0098	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0083	0.2738
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0098	0.0191	0.0191
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.0145	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0098	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0111	0.3631
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0098	0.0191	0.0191
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0098	0.0191	0.0191
Schistosoma mansoni	histamine h1 receptor	0.0098	0.0191	0.625
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Onchocerca volvulus	Matrilysin homolog	0.0117	0.0236	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0098	0.0191	0.0191
Brugia malayi	Serotonin receptor	0.0098	0.0191	0.625
Schistosoma mansoni	biogenic amine receptor	0.0098	0.0191	0.625
Echinococcus multilocularis	g-protein coupled receptor	0.0098	0.0191	0.0191
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0098	0.0191	0.625
Loa Loa (eye worm)	matrixin family protein	0.0117	0.0236	0.7731
Onchocerca volvulus		0.0098	0.0191	0.7033
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0098	0.0191	0.0191
Echinococcus granulosus	tm gpcr rhodopsin	0.0098	0.0191	0.0191
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0098	0.0191	0.0191
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0043	0.006	1
Trichomonas vaginalis	conserved hypothetical protein	0.0079	0.0145	1
Echinococcus granulosus	neuropeptide s receptor	0.0098	0.0191	0.0191
Mycobacterium tuberculosis	Probable anthranilate phosphoribosyltransferase TrpD	0.1193	0.2793	0.2766
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0098	0.0191	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0191	0.625

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2 nM l-1	Inhibition of human neutrophil collagenase [Matrix Metalloproteinase-8, MMP-8]	ChEMBL.	10354399
IC50 (binding)	= 2 nM l-1	Inhibition of human neutrophil collagenase [Matrix Metalloproteinase-8, MMP-8]	ChEMBL.	10354399

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

PubChem: 11797863

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 83652