TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 433.993 | Formula: C19H32ClN3O4S
H donors: 0 H acceptors: 4 LogP: 1.9 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1C[C@@H]2[C@@H](C1)N(C(=O)[C@H]2C(C)C)S(=O)(=O)C)/C=C/CN1CCCCC1.Cl
InChi: 1S/C19H31N3O4S.ClH/c1-14(2)18-15-12-21(13-16(15)22(19(18)24)27(3,25)26)17(23)8-7-11-20-9-5-4-6-10-20;/h7-8,14-16,18H,4-6,9-13H2,1-3H3;1H/b8-7+;/t15-,16-,18+;/m1./s1
InChiKey: ACTHWTXHQUJEPZ-ARAKVLNDSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	elastase, neutrophil expressed	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	transmembrane protease serine 3	elastase, neutrophil expressed	267 aa	236 aa	27.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	opsin-like receptor	0.0063	0.0045	0.0045
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0498	0.0656	0.0655
Onchocerca volvulus		0.0121	0.0126	0.2069
Echinococcus granulosus	tm gpcr rhodopsin	0.0063	0.0045	0.0045
Echinococcus granulosus	g protein coupled receptor	0.0063	0.0045	0.0045
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0063	0.0045	0.0045
Mycobacterium tuberculosis	Possible lipase LipU	0.0121	0.0126	1
Echinococcus multilocularis	activin receptor type	0.0041	0.0014	0.0014
Brugia malayi	Protein kinase domain containing protein	0.0463	0.0607	0.0627
Echinococcus granulosus	Coagulation factor 5 8 type C terminal	0.0057	0.0035	0.0035
Mycobacterium tuberculosis	Probable carboxylesterase LipQ	0.0121	0.0126	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0063	0.0045	0.0045
Mycobacterium ulcerans	esterase LipW	0.0121	0.0126	0.5
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0053	0.003	0.003
Brugia malayi	Dopamine receptor protein 1	0.0063	0.0045	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0063	0.0045	0.0045
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0063	0.0045	0.0045
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0063	0.0045	0.0045
Echinococcus granulosus	mitogen activated protein kinase 14	0.6912	0.9667	0.9667
Trichomonas vaginalis	conserved hypothetical protein	0.0121	0.0126	1
Brugia malayi	hypothetical protein	0.0063	0.0045	0.0046
Mycobacterium tuberculosis	Probable esterase LipM	0.0121	0.0126	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Mycobacterium leprae	Possible lipase LipU	0.0121	0.0126	1
Loa Loa (eye worm)	hypothetical protein	0.7149	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0063	0.0045	0.0045
Echinococcus granulosus	rhodopsin orphan GPCR	0.0063	0.0045	0.0045
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0063	0.0045	0.0045
Echinococcus multilocularis	sex peptide receptor	0.0063	0.0045	0.0045
Schistosoma mansoni	amine GPCR	0.0063	0.0045	0.0045
Plasmodium vivax	LCCL domain-containing protein	0.0057	0.0035	0.5
Brugia malayi	Dopamine receptor	0.0063	0.0045	0.0046
Echinococcus granulosus	g protein coupled receptor	0.0063	0.0045	0.0045
Schistosoma mansoni	protein kinase	0.0041	0.0014	0.0014
Mycobacterium ulcerans	esterase/lipase	0.0121	0.0126	0.5
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0063	0.0045	0.0045
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0063	0.0045	0.0045
Schistosoma mansoni	septate junction protein	0.0057	0.0035	0.0035
Schistosoma mansoni	memapsin-2 (A01 family)	0.0427	0.0556	0.0555
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Onchocerca volvulus		0.0063	0.0045	0.0735
Schistosoma mansoni	atypical protein kinase C	0.0047	0.0021	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0063	0.0045	0.0045
Schistosoma mansoni	protein kinase	0.0041	0.0014	0.0014
Onchocerca volvulus		0.0063	0.0045	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Mycobacterium tuberculosis	Putative acetyl hydrolase MbtJ	0.0121	0.0126	1
Schistosoma mansoni	amine GPCR	0.0063	0.0045	0.0045
Brugia malayi	GnHR receptor homolog	0.0063	0.0045	0.0046
Echinococcus granulosus	neuropeptide receptor	0.0063	0.0045	0.0045
Loa Loa (eye worm)	melatonin receptor type 1A	0.0063	0.0045	0.0045
Trichomonas vaginalis	Esterase, putative	0.0121	0.0126	1
Toxoplasma gondii	PA14 domain-containing protein	0.0057	0.0035	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Brugia malayi	Raf kinase	0.0481	0.0632	0.0653
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Brugia malayi	Tyrosine-protein kinase abl-1	0.0247	0.0303	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Echinococcus multilocularis	acetylcholinesterase	0.0068	0.0051	0.0051
Onchocerca volvulus		0.0063	0.0045	0.0735
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0063	0.0045	0.0046
Loa Loa (eye worm)	carboxylesterase	0.0068	0.0051	0.0051
Treponema pallidum	N-acetylphosphinothricin-tripetide-deacetylase	0.0121	0.0126	0.5
Brugia malayi	hypothetical protein	0.0063	0.0045	0.0046
Echinococcus multilocularis	somatostatin receptor	0.0063	0.0045	0.0045
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0063	0.0045	0.0046
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.6912	0.9667	1
Schistosoma mansoni	hypothetical protein	0.0057	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Schistosoma mansoni	biogenic amine receptor	0.0063	0.0045	0.0045
Echinococcus multilocularis	serotonin receptor	0.0456	0.0597	0.0597
Toxoplasma gondii	F5/8 type C domain-containing protein	0.0057	0.0035	0.0073
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0063	0.0045	0.0045
Schistosoma mansoni	serine/threonine protein kinase	0.0047	0.0021	0.0021
Schistosoma mansoni	protein kinase	0.0041	0.0014	0.0014
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0047	0.0021	0.0021
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0063	0.0045	0.0045
Mycobacterium ulcerans	esterase LipO	0.0121	0.0126	0.5
Schistosoma mansoni	amine GPCR	0.0063	0.0045	0.0045
Brugia malayi	G protein-coupled receptor F59B2.13	0.0063	0.0045	0.0046
Loa Loa (eye worm)	G-protein coupled receptor	0.0063	0.0045	0.0045
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0047	0.0021	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Echinococcus multilocularis	discoidin domain containing receptor 2	0.0057	0.0035	0.0035
Echinococcus granulosus	raf serine:threonine protein kinase	0.0498	0.0656	0.0655
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0063	0.0045	0.0045
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0063	0.0045	0.0045
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Mycobacterium ulcerans	hypothetical protein	0.0121	0.0126	0.5
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0063	0.0045	0.0046
Loa Loa (eye worm)	hypothetical protein	0.2102	0.2909	0.2909
Echinococcus multilocularis	neuropeptides capa receptor	0.0063	0.0045	0.0045
Echinococcus granulosus	c-Jun N-terminal kinases	0.0963	0.131	0.1309
Leishmania major	hypothetical protein, conserved	0.0121	0.0126	0.0116
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0025	0.0025
Mycobacterium tuberculosis	Probable acetyl-hydrolase/esterase LipR	0.0121	0.0126	1
Mycobacterium ulcerans	lipase/esterase LipN	0.0121	0.0126	0.5
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0063	0.0045	0.0045
Loa Loa (eye worm)	aryl-acylamidase	0.0121	0.0126	0.0126
Onchocerca volvulus		0.0063	0.0045	0.0735
Echinococcus granulosus	dual specificity testis-specific protein kinase	0.0041	0.0014	0.0014
Schistosoma mansoni	serine/threonine protein kinase	0.0047	0.0021	0.0021
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0063	0.0045	0.0045
Brugia malayi	neuropeptide F receptor	0.0063	0.0045	0.0046
Brugia malayi	aryl-acylamidase	0.0121	0.0126	0.013
Onchocerca volvulus		0.0063	0.0045	0.0735
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0417	0.0543	0.0542
Loa Loa (eye worm)	neuropeptide F receptor	0.0063	0.0045	0.0045
Echinococcus multilocularis	mitogen activated protein kinase 11	0.6912	0.9667	0.9667
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Echinococcus multilocularis	hormone sensitive lipase	0.7149	1	1
Onchocerca volvulus		0.0063	0.0045	0.0735
Loa Loa (eye worm)	TKL/RAF/RAF protein kinase	0.0286	0.0358	0.0358
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Echinococcus granulosus	rhodopsin orphan GPCR	0.0063	0.0045	0.0045
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0042	0.0042
Brugia malayi	Serotonin receptor	0.0063	0.0045	0.0046
Plasmodium falciparum	LCCL domain-containing protein	0.0057	0.0035	1
Entamoeba histolytica	protein kinase domain containing protein	0.0041	0.0014	0.6934
Loa Loa (eye worm)	G-protein coupled receptor	0.0063	0.0045	0.0045
Onchocerca volvulus		0.0463	0.0607	1
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.7149	1	1
Echinococcus multilocularis	fmrfamide receptor	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0035	0.0035
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0456	0.0597	0.0597
Echinococcus granulosus	7tm_1 domain containing protein	0.0063	0.0045	0.0045
Onchocerca volvulus		0.0063	0.0045	0.0735
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0025	0.0025
Brugia malayi	hypothetical protein	0.0063	0.0045	0.0046
Echinococcus granulosus	activin receptor type	0.0041	0.0014	0.0014
Echinococcus granulosus	Protein kinase C brain isozyme	0.0047	0.0021	0.0021
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0063	0.0045	0.0045
Schistosoma mansoni	neuropeptide receptor	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0051	0.0051
Brugia malayi	Tyrosine-protein kinase abl-1	0.0176	0.0204	0.021
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0047	0.0021	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0188	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0063	0.0045	0.0045
Echinococcus granulosus	fmrfamide receptor	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Schistosoma mansoni	amine GPCR	0.0063	0.0045	0.0045
Trypanosoma cruzi	Alpha/beta hydrolase domain-containing protein	0.0121	0.0126	0.0116
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0063	0.0045	0.0045
Echinococcus multilocularis	carboxylesterase 5A	0.0068	0.0051	0.0051
Echinococcus granulosus	rhodopsin orphan GPCR	0.0063	0.0045	0.0045
Echinococcus granulosus	biogenic amine 5HT receptor	0.0456	0.0597	0.0597
Echinococcus granulosus	biogenic amine 5HT receptor	0.0063	0.0045	0.0045
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0176	0.0204	0.0203
Echinococcus multilocularis	g protein coupled receptor	0.0063	0.0045	0.0045
Echinococcus granulosus	tm gpcr rhodopsin	0.0063	0.0045	0.0045
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0063	0.0045	0.0045
Echinococcus multilocularis	fmrfamide receptor	0.0063	0.0045	0.0045
Echinococcus granulosus	rhodopsin orphan GPCR	0.0063	0.0045	0.0045
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0063	0.0045	0.0045
Echinococcus granulosus	hypothetical protein	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0456	0.0597	0.0597
Echinococcus multilocularis	G protein coupled receptor 139	0.0063	0.0045	0.0045
Schistosoma mansoni	hypothetical protein	0.0034	0.0003	0.0002
Echinococcus granulosus	discoidin domain containing receptor 2	0.0057	0.0035	0.0035
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.7149	1	1
Mycobacterium tuberculosis	Probable esterase LipO	0.0121	0.0126	1
Echinococcus granulosus	discoidin domain receptor	0.0451	0.059	0.0589
Loa Loa (eye worm)	TK/DDR protein kinase	0.0407	0.0527	0.0527
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0063	0.0045	0.0045
Brugia malayi	hypothetical protein	0.0063	0.0045	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.2102	0.2909	0.2909
Onchocerca volvulus		0.0063	0.0045	0.0735
Mycobacterium tuberculosis	Probable esterase/lipase LipF	0.0121	0.0126	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Schistosoma mansoni	opsin-like receptor	0.0063	0.0045	0.0045
Onchocerca volvulus		0.0057	0.0035	0.0574
Mycobacterium ulcerans	carboxylesterase LipQ	0.0121	0.0126	0.5
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.7149	1	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Brugia malayi	larval opioid receptor	0.0063	0.0045	0.0046
Schistosoma mansoni	serine/threonine protein kinase	0.0047	0.0021	0.0021
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0047	0.0021	0.0021
Schistosoma mansoni	amine GPCR	0.0063	0.0045	0.0045
Brugia malayi	Carboxylesterase family protein	0.0068	0.0051	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Echinococcus multilocularis	neuropeptide receptor A26	0.0063	0.0045	0.0045
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0063	0.0045	0.0735
Brugia malayi	hypothetical protein	0.0063	0.0045	0.0046
Mycobacterium ulcerans	membrane-bound esterase LipM	0.0121	0.0126	0.5
Brugia malayi	hypothetical protein	0.0063	0.0045	0.0046
Onchocerca volvulus		0.0063	0.0045	0.0735
Echinococcus granulosus	neuropeptide receptor A26	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Echinococcus multilocularis	g-protein coupled receptor	0.0063	0.0045	0.0045
Echinococcus multilocularis	orexin receptor type 2	0.0063	0.0045	0.0045
Schistosoma mansoni	neuropeptide receptor	0.0063	0.0045	0.0045
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0063	0.0045	0.0045
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0047	0.0021	0.0021
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0063	0.0045	0.0045
Brugia malayi	Protein kinase c protein 2	0.0047	0.0021	0.0021
Brugia malayi	hypothetical protein	0.0063	0.0045	0.0046
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0063	0.0045	0.0045
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0047	0.0021	0.0021
Onchocerca volvulus		0.0063	0.0045	0.0735
Echinococcus granulosus	orexin receptor type 2	0.0063	0.0045	0.0045
Echinococcus granulosus	sex peptide receptor	0.0063	0.0045	0.0045
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.6912	0.9667	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0063	0.0045	0.0045
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0063	0.0045	0.0046
Echinococcus multilocularis	neuropeptides capa receptor	0.0063	0.0045	0.0045
Brugia malayi	ephrin receptor 1 precursor	0.0041	0.0014	0.0013
Schistosoma mansoni	discoidin domain receptor	0.0057	0.0035	0.0035
Brugia malayi	G-protein coupled receptor	0.0063	0.0045	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Schistosoma mansoni	neuropeptide receptor	0.0063	0.0045	0.0045
Schistosoma mansoni	hypothetical protein	0.0063	0.0045	0.0045
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0063	0.0045	0.0045
Plasmodium vivax	LCCL domain-containing protein	0.0057	0.0035	0.5
Schistosoma mansoni	opsin-like receptor	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Echinococcus granulosus	neuropeptide Y receptor	0.0063	0.0045	0.0045
Trypanosoma cruzi	Isoprenylcysteine alpha-carbonyl methylesterase, putative	0.0121	0.0126	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Echinococcus granulosus	rhodopsin orphan GPCR	0.0063	0.0045	0.0045
Echinococcus multilocularis	ephrin type A receptor 4 A	0.0088	0.008	0.0079
Schistosoma mansoni	serine/threonine protein kinase	0.0047	0.0021	0.0021
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0063	0.0045	0.0046
Echinococcus multilocularis	g protein coupled receptor	0.0063	0.0045	0.0045
Echinococcus granulosus	dro:myosuppressin receptor	0.0063	0.0045	0.0045
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0063	0.0045	0.0045
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0063	0.0045	0.0045
Onchocerca volvulus		0.0063	0.0045	0.0735
Schistosoma mansoni	biogenic amine receptor	0.0063	0.0045	0.0045
Echinococcus multilocularis	protein kinase c epsilon type	0.0047	0.0021	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0451	0.059	0.059
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0025	0.0025
Schistosoma mansoni	histamine h1 receptor	0.0063	0.0045	0.0045
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0465	0.0609	0.0608
Echinococcus multilocularis	allatostatin A receptor	0.0063	0.0045	0.0045
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0063	0.0045	0.0045
Echinococcus multilocularis	neuropeptide s receptor	0.0063	0.0045	0.0045
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0063	0.0045	0.0045
Echinococcus multilocularis	mitogen activated protein kinase 11	0.6912	0.9667	0.9667
Brugia malayi	ORL1-like opioid receptor	0.0063	0.0045	0.0046
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0063	0.0045	0.0045
Mycobacterium tuberculosis	Probable lipase/esterase LipN	0.0121	0.0126	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0063	0.0045	0.0045
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.2102	0.2909	0.2909
Onchocerca volvulus		0.0062	0.0042	0.0689
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0121	0.0126	0.0125
Schistosoma mansoni	tyrosine kinase	0.0412	0.0534	0.0534
Loa Loa (eye worm)	acetylcholinesterase 1	0.0068	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0456	0.0597	0.0597
Trypanosoma cruzi	Isoprenylcysteine alpha-carbonyl methylesterase, putative	0.0121	0.0126	0.0116
Echinococcus multilocularis	neuropeptide Y receptor	0.0063	0.0045	0.0045
Echinococcus granulosus	neuropeptide FF receptor 2	0.0063	0.0045	0.0045
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0063	0.0045	0.0045
Mycobacterium ulcerans	lipase LipU	0.0121	0.0126	0.5
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0003	0.0003
Brugia malayi	RE15519p	0.0063	0.0045	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Echinococcus granulosus	g protein coupled receptor	0.0063	0.0045	0.0045
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0063	0.0045	0.0045
Brugia malayi	C1-like domain containing protein	0.0047	0.0021	0.0021
Echinococcus granulosus	neuropeptide Y receptor	0.0063	0.0045	0.0045
Echinococcus granulosus	allatostatin A receptor	0.0063	0.0045	0.0045
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0025	0.0025
Brugia malayi	sulfakinin receptor protein	0.0063	0.0045	0.0046
Echinococcus granulosus	neuropeptides capa receptor	0.0063	0.0045	0.0045
Echinococcus granulosus	mitogen activated protein kinase 11	0.6912	0.9667	0.9667
Brugia malayi	hypothetical protein	0.0063	0.0045	0.0046
Toxoplasma gondii	alpha/beta hydrolase fold domain-containing protein	0.0121	0.0126	0.0387
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Schistosoma mansoni	serine/threonine protein kinase	0.0498	0.0656	0.0655
Brugia malayi	Serotonin receptor	0.0063	0.0045	0.0046
Loa Loa (eye worm)	hypothetical protein	0.2102	0.2909	0.2909
Echinococcus multilocularis	discoidin domain containing receptor 2	0.0057	0.0035	0.0035
Onchocerca volvulus		0.0063	0.0045	0.0735
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.6912	0.9667	1
Echinococcus granulosus	neuropeptide receptor	0.0063	0.0045	0.0045
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0003	0.0002
Mycobacterium tuberculosis	Probable non lipolytic carboxylesterase NlhH	0.0121	0.0126	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0407	0.0527	0.0527
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0063	0.0045	0.0045
Schistosoma mansoni	discoidin domain receptor	0.0057	0.0035	0.0035
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0063	0.0045	0.0045
Echinococcus granulosus	7TM GPCR rhodopsin	0.0063	0.0045	0.0045
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0047	0.0021	0.0021
Loa Loa (eye worm)	CAMK protein kinase	0.0032	0.0001	0.0001
Brugia malayi	hypothetical protein	0.0063	0.0045	0.0046
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0063	0.0045	0.0046
Trichomonas vaginalis	Esterase, putative	0.0121	0.0126	1
Brugia malayi	Melatonin receptor type 1A	0.0063	0.0045	0.0046
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0063	0.0045	0.0045
Schistosoma mansoni	growth hormone secretagogue receptor	0.0063	0.0045	0.0045
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0032	0.0001	0.0001
Echinococcus multilocularis	dro:myosuppressin receptor	0.0063	0.0045	0.0045
Brugia malayi	follicle stimulating hormone receptor	0.0063	0.0045	0.0046
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0063	0.0045	0.0045
Brugia malayi	hypothetical protein	0.0063	0.0045	0.0046
Schistosoma mansoni	neuropeptide F-like receptor	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Onchocerca volvulus		0.0063	0.0045	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0063	0.0045	0.0045
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0063	0.0045	0.0045
Echinococcus granulosus	protein kinase c iota type	0.0047	0.0021	0.0021
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0063	0.0045	0.0045
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0063	0.0045	0.0045
Echinococcus granulosus	serotonin receptor	0.0063	0.0045	0.0045
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0063	0.0045	0.0045
Onchocerca volvulus		0.0063	0.0045	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Echinococcus multilocularis	protein kinase c iota type	0.0047	0.0021	0.0021
Echinococcus multilocularis	serotonin receptor	0.0456	0.0597	0.0597
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0063	0.0045	0.0735
Echinococcus multilocularis	g protein coupled receptor	0.0063	0.0045	0.0045
Schistosoma mansoni	ephrin receptor	0.0073	0.0059	0.0059
Schistosoma mansoni	intracisternal A-particle retropepsin (A02 family)	0.2556	0.3547	0.3547
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0063	0.0045	0.0045
Schistosoma mansoni	serine/threonine protein kinase	0.0963	0.131	0.1309
Toxoplasma gondii	F5/8 type C domain-containing protein	0.0057	0.0035	0.0073
Schistosoma mansoni	hypothetical protein	0.0063	0.0045	0.0045
Mycobacterium tuberculosis	Probable lipase LipH	0.0121	0.0126	1
Loa Loa (eye worm)	raf kinase	0.0486	0.0639	0.0639
Echinococcus granulosus	tm gpcr rhodopsin	0.0063	0.0045	0.0045
Brugia malayi	protein kinase C3,putative	0.0047	0.0021	0.0021
Leishmania major	ecotin, putative	0.0121	0.0126	0.0116
Loa Loa (eye worm)	TYRA-2 protein	0.0063	0.0045	0.0045
Echinococcus granulosus	neuropeptides capa receptor	0.0063	0.0045	0.0045
Echinococcus granulosus	neuropeptide s receptor	0.0063	0.0045	0.0045
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0063	0.0045	0.0045
Brugia malayi	neuropeptide F receptor	0.0063	0.0045	0.0046
Entamoeba histolytica	protein kinase, putative	0.0044	0.0018	1
Mycobacterium tuberculosis	Possible esterase LipW	0.0121	0.0126	1
Brugia malayi	Dopamine receptor protein 2	0.0063	0.0045	0.0046
Echinococcus multilocularis	neuropeptide receptor	0.0063	0.0045	0.0045
Brugia malayi	AKH receptor	0.0063	0.0045	0.0046
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0063	0.0045	0.0045
Onchocerca volvulus		0.0035	0.0005	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0035	0.0035
Brugia malayi	putative neuropeptide receptor NPR1	0.0063	0.0045	0.0046
Echinococcus multilocularis	discoidin domain containing receptor 2	0.0057	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Schistosoma mansoni	myosin xvIII	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Toxoplasma gondii	F5/8 type C domain-containing protein	0.0057	0.0035	0.0073
Echinococcus granulosus	rhodopsin orphan GPCR	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Brugia malayi	G-protein coupled receptor	0.0063	0.0045	0.0046
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Echinococcus multilocularis	neuropeptide receptor	0.0063	0.0045	0.0045
Echinococcus multilocularis	mitogen activated protein kinase 14	0.6912	0.9667	0.9667
Trichomonas vaginalis	Esterase, putative	0.0121	0.0126	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0063	0.0045	0.0045
Loa Loa (eye worm)	TK/ABL protein kinase	0.0417	0.0543	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0051	0.0051
Echinococcus multilocularis	c Jun NH2 terminal kinase	0.0963	0.131	0.1309
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0063	0.0045	0.0045
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	0.0963	0.131	0.131
Plasmodium falciparum	LCCL domain-containing protein	0.0057	0.0035	1
Mycobacterium ulcerans	lipase LipH	0.0121	0.0126	0.5
Schistosoma mansoni	neuropeptide f receptor 76f	0.0063	0.0045	0.0045
Echinococcus granulosus	G protein coupled receptor 139	0.0063	0.0045	0.0045
Brugia malayi	Protein kinase domain containing protein	0.0047	0.0021	0.0021
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9D	0.0121	0.0126	0.0116
Toxoplasma gondii	hypothetical protein	0.2102	0.2909	1
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0063	0.0045	0.0045
Schistosoma mansoni	neuropeptide receptor	0.0063	0.0045	0.0045
Echinococcus multilocularis	acetylcholinesterase	0.0068	0.0051	0.0051
Echinococcus multilocularis	mitogen activated protein kinase 14	0.6912	0.9667	0.9667
Schistosoma mansoni	serine/threonine protein kinase	0.0047	0.0021	0.0021
Loa Loa (eye worm)	TK/EPH protein kinase	0.009	0.0083	0.0083
Trypanosoma brucei	Isoprenylcysteine alpha-carbonyl methylesterase, putative	0.0121	0.0126	0.0116
Brugia malayi	G protein-coupled receptor	0.0063	0.0045	0.0046
Schistosoma mansoni	protein kinase C mu	0.0047	0.0021	0.0021
Loa Loa (eye worm)	neuropeptide F receptor	0.0063	0.0045	0.0045
Echinococcus granulosus	discoidin domain containing receptor 2	0.0057	0.0035	0.0035
Schistosoma mansoni	biogenic amine receptor	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0063	0.0045	0.0045
Echinococcus multilocularis	Coagulation factor 5 8 type, C terminal	0.0057	0.0035	0.0035
Schistosoma mansoni	hypothetical protein	0.0063	0.0045	0.0045
Onchocerca volvulus		0.0063	0.0045	0.0735
Mycobacterium ulcerans	acetyl hydrolase MbtJ	0.0121	0.0126	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0063	0.0045	0.0045
Echinococcus granulosus	acetylcholinesterase	0.0068	0.0051	0.0051
Echinococcus multilocularis	neuropeptide Y receptor	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Schistosoma mansoni	adenoreceptor	0.0063	0.0045	0.0045
Schistosoma mansoni	neuropeptide F-like receptor	0.0063	0.0045	0.0045
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0417	0.0543	0.0542
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0063	0.0045	0.0045
Mycobacterium ulcerans	esterase LipC	0.0121	0.0126	0.5
Onchocerca volvulus		0.0063	0.0045	0.0735
Brugia malayi	Stress-activated protein kinase jnk-1	0.0963	0.131	0.1354
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0063	0.0045	0.0045
Echinococcus granulosus	somatostatin receptor	0.0063	0.0045	0.0045
Echinococcus granulosus	ephrin type A receptor 4 A	0.0088	0.008	0.0079
Schistosoma mansoni	dock	0.0057	0.0035	0.0035
Brugia malayi	protein kinase C II.	0.0047	0.0021	0.0021
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0063	0.0045	0.0045
Echinococcus multilocularis	discoidin domain receptor	0.0057	0.0035	0.0035
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0063	0.0045	0.0045
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.6912	0.9667	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0063	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0045	0.0045
Loa Loa (eye worm)	ammd protein	0.0121	0.0126	0.0126
Mycobacterium tuberculosis	Probable esterase LipC	0.0121	0.0126	1
Echinococcus granulosus	carboxylesterase 5A	0.0068	0.0051	0.0051
Echinococcus granulosus	protein kinase c epsilon type	0.0047	0.0021	0.0021
Echinococcus multilocularis	nuclear receptor 2C2 associated protein	0.0057	0.0035	0.0035
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0068	0.0051	0.0051
Brugia malayi	P38 map kinase family protein 2	0.6912	0.9667	1
Mycobacterium ulcerans	lipase LipI	0.0121	0.0126	0.5
Toxoplasma gondii	alpha/beta hydrolase fold domain-containing protein	0.0121	0.0126	0.0387
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0032	0.0001	0.0001
Schistosoma mansoni	btb and poz domain-containing protein	0.0057	0.0035	0.0035
Echinococcus granulosus	discoidin domain containing receptor 2	0.0057	0.0035	0.0035
Echinococcus granulosus	acetylcholinesterase	0.0068	0.0051	0.0051
Brugia malayi	Carboxylesterase family protein	0.0068	0.0051	0.0052
Echinococcus multilocularis	dual specificity testis specific protein kinase	0.0041	0.0014	0.0014
Onchocerca volvulus		0.0063	0.0045	0.0735
Echinococcus granulosus	g-protein coupled receptor	0.0063	0.0045	0.0045
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.6912	0.9667	0.9667
Mycobacterium ulcerans	lipase LipU	0.0121	0.0126	0.5
Brugia malayi	putative neuropeptide receptor	0.0063	0.0045	0.0046
Schistosoma mansoni	hypothetical protein	0.0063	0.0045	0.0045
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0063	0.0045	0.0045

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 22 nM	Inhibitory concentration of the compound against Elastase	ChEMBL.	11294386
IC50 (functional)	= 0.67 uM	Residual elastase activity of the compound was evaluated after incubation with human whole blood for 30 min	ChEMBL.	11294386

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	11294386

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: CHEMBL558367

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1053095