TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 382.498 | Formula: C17H22N2O4S2
H donors: 1 H acceptors: 5 LogP: 1.18 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: N#CCNC(=O)[C@@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(cc1)S(=O)C
InChi: 1S/C17H22N2O4S2/c1-24(21)14-6-8-15(9-7-14)25(22,23)12-13-4-2-3-5-16(13)17(20)19-11-10-18/h6-9,13,16H,2-5,11-12H2,1H3,(H,19,20)/t13-,16+,24?/m0/s1
InChiKey: NSMIEPGLWQXDAC-KUESFKKXSA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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

Clustering layers

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

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0138	0.5102	0.5102
Brugia malayi	Serotonin receptor	0.0138	0.5102	0.6244
Echinococcus multilocularis	cysteine protease	0.0027	0.0539	0.0539
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0138	0.5102	0.5102
Brugia malayi	Melatonin receptor type 1A	0.0138	0.5102	0.6244
Brugia malayi	Cathepsin L-like precursor	0.0027	0.0539	0.066
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0138	0.5102	0.5102
Trypanosoma cruzi	cysteine peptidase, putative	0.0027	0.0539	0.066
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0539	0.066
Brugia malayi	AKH receptor	0.0138	0.5102	0.6244
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0138	0.5102	0.5102
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0138	0.5102	0.5102
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0138	0.5102	0.5102
Echinococcus multilocularis	g protein coupled receptor	0.0138	0.5102	0.5102
Brugia malayi	hypothetical protein	0.0138	0.5102	0.6244
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0027	0.0539	0.0539
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0027	0.0539	0.0539
Brugia malayi	hypothetical protein	0.0138	0.5102	0.6244
Brugia malayi	hypothetical protein	0.0138	0.5102	0.6244
Trypanosoma cruzi	UMP-CMP kinase, mitochondrial, putative	0.0083	0.2859	0.3499
Plasmodium falciparum	thymidylate kinase	0.0212	0.817	1
Loa Loa (eye worm)	melatonin receptor type 1A	0.0138	0.5102	0.5016
Schistosoma mansoni	biogenic amine receptor	0.0138	0.5102	0.5102
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0539	0.066
Echinococcus granulosus	g protein coupled receptor	0.0138	0.5102	0.5102
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0138	0.5102	0.5102
Trypanosoma cruzi	thymidylate kinase, putative	0.0212	0.817	1
Onchocerca volvulus		0.0138	0.5102	0.6164
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0138	0.5102	0.5102
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0539	0.066
Onchocerca volvulus		0.0138	0.5102	0.6164
Onchocerca volvulus		0.0138	0.5102	0.6164
Giardia lamblia	CDC8	0.0212	0.817	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.0138	0.5102	0.5102
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0138	0.5102	0.5102
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.0171	0.0171
Brugia malayi	thymidylate kinase	0.0212	0.817	1
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0138	0.5102	0.6244
Brugia malayi	Dopamine receptor protein 2	0.0138	0.5102	0.6244
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Loa Loa (eye worm)	neuropeptide F receptor	0.0138	0.5102	0.5016
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Leishmania major	hypothetical protein, conserved	0.0083	0.2859	0.304
Mycobacterium tuberculosis	Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK)	0.0212	0.817	0.5
Schistosoma mansoni	neuropeptide f receptor 76f	0.0138	0.5102	0.5102
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0027	0.0539	0.066
Brugia malayi	neuropeptide F receptor	0.0138	0.5102	0.6244
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0138	0.5102	0.5102
Onchocerca volvulus		0.0138	0.5102	0.6164
Mycobacterium ulcerans	thymidylate kinase	0.0212	0.817	0.5
Schistosoma mansoni	hypothetical protein	0.0138	0.5102	0.5102
Onchocerca volvulus		0.0138	0.5102	0.6164
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Echinococcus multilocularis	cathepsin L cysteine protease	0.0027	0.0539	0.0539
Echinococcus multilocularis	neuropeptides capa receptor	0.0138	0.5102	0.5102
Echinococcus multilocularis	g protein coupled receptor	0.0138	0.5102	0.5102
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Echinococcus multilocularis	neuropeptide receptor	0.0138	0.5102	0.5102
Brugia malayi	G-protein coupled receptor	0.0138	0.5102	0.6244
Brugia malayi	Cathepsin L-like precursor	0.0027	0.0539	0.066
Onchocerca volvulus		0.0138	0.5102	0.6164
Brugia malayi	RE15519p	0.0138	0.5102	0.6244
Echinococcus granulosus	cathepsin l1	0.0027	0.0539	0.0539
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0138	0.5102	0.5102
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0539	0.066
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0539	0.066
Echinococcus multilocularis	allatostatin A receptor	0.0138	0.5102	0.5102
Schistosoma mansoni	hypothetical protein	0.0212	0.817	0.817
Trypanosoma cruzi	cysteine peptidase, putative	0.0027	0.0539	0.066
Echinococcus granulosus	neuropeptide receptor	0.0138	0.5102	0.5102
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0027	0.0539	0.066
Brugia malayi	putative neuropeptide receptor	0.0138	0.5102	0.6244
Brugia malayi	larval opioid receptor	0.0138	0.5102	0.6244
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0138	0.5102	0.5016
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0138	0.5102	0.5102
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0171	0.021
Brugia malayi	hypothetical protein	0.0138	0.5102	0.6244
Schistosoma mansoni	cathepsin F (C01 family)	0.0027	0.0539	0.0539
Trichomonas vaginalis	thymidylate kinase, putative	0.0212	0.817	1
Brugia malayi	G protein-coupled receptor F59B2.13	0.0138	0.5102	0.6244
Brugia malayi	Serotonin receptor	0.0138	0.5102	0.6244
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0539	0.066
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0138	0.5102	0.5102
Echinococcus multilocularis	neuropeptide receptor A26	0.0138	0.5102	0.5102
Echinococcus granulosus	somatostatin receptor	0.0138	0.5102	0.5102
Trypanosoma cruzi	thymidylate kinase, putative	0.0212	0.817	1
Schistosoma mansoni	amine GPCR	0.0138	0.5102	0.5102
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0027	0.0539	0.066
Plasmodium vivax	thymidylate kinase, putative	0.0212	0.817	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0539	0.066
Echinococcus granulosus	rhodopsin orphan GPCR	0.0138	0.5102	0.5102
Echinococcus granulosus	allatostatin A receptor	0.0138	0.5102	0.5102
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0539	0.0374
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Echinococcus multilocularis	serotonin receptor	0.0256	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0027	0.0539	0.0539
Onchocerca volvulus		0.0027	0.0539	0.0459
Schistosoma mansoni	opsin-like receptor	0.0138	0.5102	0.5102
Echinococcus multilocularis	fmrfamide receptor	0.0138	0.5102	0.5102
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0138	0.5102	0.5102
Echinococcus granulosus	g-protein coupled receptor	0.0138	0.5102	0.5102
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0539	0.066
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0171	0.021
Echinococcus granulosus	rhodopsin orphan GPCR	0.0138	0.5102	0.5102
Echinococcus multilocularis	g-protein coupled receptor	0.0138	0.5102	0.5102
Echinococcus multilocularis	neuropeptide Y receptor	0.0138	0.5102	0.5102
Onchocerca volvulus		0.0138	0.5102	0.6164
Entamoeba histolytica	Thymidylate kinase, putative	0.0212	0.817	1
Onchocerca volvulus		0.0027	0.0539	0.0459
Onchocerca volvulus		0.0138	0.5102	0.6164
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0138	0.5102	0.5102
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0539	0.066
Brugia malayi	Cathepsin L-like precursor	0.0027	0.0539	0.066
Echinococcus granulosus	rhodopsin orphan GPCR	0.0138	0.5102	0.5102
Schistosoma mansoni	thymidylate kinase	0.0212	0.817	0.817
Echinococcus granulosus	serotonin receptor	0.0138	0.5102	0.5102
Brugia malayi	hypothetical protein	0.0138	0.5102	0.6244
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0027	0.0539	0.066
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0027	0.0539	0.0539
Plasmodium vivax	vivapain-2	0.0027	0.0539	0.066
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0539	0.066
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0539	0.066
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0027	0.0539	0.066
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0539	0.066
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0539	0.066
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0138	0.5102	0.5102
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0138	0.5102	0.6244
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0256	1	1
Brugia malayi	hypothetical protein	0.0138	0.5102	0.6244
Echinococcus granulosus	7tm_1 domain containing protein	0.0138	0.5102	0.5102
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0027	0.0539	0.066
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0138	0.5102	0.5102
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Treponema pallidum	thymidylate kinase (tmk)	0.0212	0.817	0.5
Onchocerca volvulus		0.0027	0.0539	0.0459
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Leishmania major	thymidylate kinase-like protein	0.0212	0.817	1
Brugia malayi	Dopamine receptor	0.0138	0.5102	0.6244
Toxoplasma gondii	thymidylate kinase	0.0212	0.817	1
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Echinococcus multilocularis	neuropeptide receptor	0.0138	0.5102	0.5102
Loa Loa (eye worm)	ctsf protein	0.0027	0.0539	0.0374
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0027	0.0539	0.066
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0027	0.0539	0.0374
Echinococcus granulosus	rhodopsin orphan GPCR	0.0138	0.5102	0.5102
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0138	0.5102	0.5102
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0138	0.5102	0.5102
Trypanosoma brucei	thymidylate kinase, putative	0.0212	0.817	1
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Brugia malayi	putative neuropeptide receptor NPR1	0.0138	0.5102	0.6244
Schistosoma mansoni	opsin-like receptor	0.0138	0.5102	0.5102
Onchocerca volvulus	Cathepsin F homolog	0.0027	0.0539	0.0459
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0138	0.5102	0.5102
Mycobacterium leprae	probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK)	0.0212	0.817	0.5
Echinococcus granulosus	thymidylate kinase	0.0212	0.817	0.817
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0539	0.066
Brugia malayi	GnHR receptor homolog	0.0138	0.5102	0.6244
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0138	0.5102	0.5102
Schistosoma mansoni	neuropeptide F-like receptor	0.0138	0.5102	0.5102
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0138	0.5102	0.5102
Echinococcus multilocularis	thymidylate kinase	0.0212	0.817	0.817
Echinococcus granulosus	neuropeptide receptor A26	0.0138	0.5102	0.5102
Echinococcus multilocularis	g protein coupled receptor	0.0138	0.5102	0.5102
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0027	0.0539	0.066
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Schistosoma mansoni	amine GPCR	0.0138	0.5102	0.5102
Echinococcus granulosus	rhodopsin orphan GPCR	0.0138	0.5102	0.5102
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0539	0.066
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Onchocerca volvulus		0.0138	0.5102	0.6164
Schistosoma mansoni	biogenic amine receptor	0.0138	0.5102	0.5102
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0138	0.5102	0.5102
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0138	0.5102	0.5102
Brugia malayi	G protein-coupled receptor	0.0138	0.5102	0.6244
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0138	0.5102	0.5102
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0138	0.5102	0.5102
Wolbachia endosymbiont of Brugia malayi	thymidylate kinase	0.0212	0.817	0.5
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0138	0.5102	0.5102
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0138	0.5102	0.5016
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0171	0.021
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0138	0.5102	0.5102
Onchocerca volvulus		0.0027	0.0539	0.0459
Onchocerca volvulus	Putative thymidylate kinase	0.0212	0.817	1
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Loa Loa (eye worm)	cysteine protease	0.0027	0.0539	0.0374
Onchocerca volvulus		0.0138	0.5102	0.6164
Schistosoma mansoni	thymidylate kinase	0.0212	0.817	0.817
Schistosoma mansoni	cathepsin F (C01 family)	0.0027	0.0539	0.0539
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0138	0.5102	0.5102
Echinococcus granulosus	rhodopsin orphan GPCR	0.0138	0.5102	0.5102
Echinococcus granulosus	neuropeptide Y receptor	0.0138	0.5102	0.5102
Brugia malayi	G-protein coupled receptor	0.0138	0.5102	0.6244
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0018	0.0171	0.021
Echinococcus granulosus	tm gpcr rhodopsin	0.0138	0.5102	0.5102
Echinococcus multilocularis	neuropeptide s receptor	0.0138	0.5102	0.5102
Onchocerca volvulus		0.0138	0.5102	0.6164
Entamoeba histolytica	cysteine proteinase, putative	0.0018	0.0171	0.021
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0539	0.066
Echinococcus granulosus	hypothetical protein	0.0138	0.5102	0.5102
Chlamydia trachomatis	thymidylate kinase	0.0212	0.817	0.5
Onchocerca volvulus		0.0138	0.5102	0.6164
Onchocerca volvulus		0.0138	0.5102	0.6164
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0138	0.5102	0.5102
Brugia malayi	Papain family cysteine protease containing protein	0.0027	0.0539	0.066
Trypanosoma cruzi	cysteine peptidase, putative	0.0027	0.0539	0.066
Trypanosoma brucei	thymidylate kinase, putative	0.0212	0.817	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0138	0.5102	0.5102
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0027	0.0539	0.0374
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0027	0.0539	0.0539
Schistosoma mansoni	amine GPCR	0.0138	0.5102	0.5102
Brugia malayi	Cathepsin L-like precursor	0.0027	0.0539	0.066
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0138	0.5102	0.6164
Loa Loa (eye worm)	G-protein coupled receptor	0.0138	0.5102	0.5016
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0138	0.5102	0.5102
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0539	0.066
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0027	0.0539	0.066
Brugia malayi	follicle stimulating hormone receptor	0.0138	0.5102	0.6244
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Brugia malayi	neuropeptide F receptor	0.0138	0.5102	0.6244
Echinococcus granulosus	dro:myosuppressin receptor	0.0138	0.5102	0.5102
Schistosoma mansoni	neuropeptide receptor	0.0138	0.5102	0.5102
Loa Loa (eye worm)	neuropeptide F receptor	0.0138	0.5102	0.5016
Schistosoma mansoni	histamine h1 receptor	0.0138	0.5102	0.5102
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0138	0.5102	0.5102
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0138	0.5102	0.5102
Loa Loa (eye worm)	G-protein coupled receptor	0.0138	0.5102	0.5016
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0539	0.066
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0138	0.5102	0.5102
Schistosoma mansoni	hypothetical protein	0.0138	0.5102	0.5102
Echinococcus granulosus	tm gpcr rhodopsin	0.0138	0.5102	0.5102
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0138	0.5102	0.5102
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0138	0.5102	0.5102
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0138	0.5102	0.5102
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0138	0.5102	0.6244
Brugia malayi	cathepsin L-like precursor	0.0018	0.0171	0.021
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0138	0.5102	0.5016
Echinococcus multilocularis	fmrfamide receptor	0.0138	0.5102	0.5102
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0138	0.5102	0.5102
Echinococcus granulosus	sex peptide receptor	0.0138	0.5102	0.5102
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0539	0.066
Echinococcus granulosus	rhodopsin orphan GPCR	0.0138	0.5102	0.5102
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0539	0.066
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0138	0.5102	0.5102
Echinococcus granulosus	orexin receptor type 2	0.0138	0.5102	0.5102
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0138	0.5102	0.6164
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Schistosoma mansoni	neuropeptide receptor	0.0138	0.5102	0.5102
Schistosoma mansoni	hypothetical protein	0.0138	0.5102	0.5102
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0138	0.5102	0.5102
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0027	0.0539	0.066
Brugia malayi	Dopamine receptor protein 1	0.0138	0.5102	0.6244
Echinococcus granulosus	G protein coupled receptor 139	0.0138	0.5102	0.5102
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0539	0.066
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0138	0.5102	0.5102
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0539	0.066
Loa Loa (eye worm)	TYRA-2 protein	0.0138	0.5102	0.5016
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0027	0.0539	0.066
Loa Loa (eye worm)	fibroinase	0.0027	0.0539	0.0374
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0138	0.5102	0.5102
Schistosoma mansoni	amine GPCR	0.0138	0.5102	0.5102
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0138	0.5102	0.5102
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0027	0.0539	0.066
Trichomonas vaginalis	thymidylate kinase, putative	0.0212	0.817	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0027	0.0539	0.066
Echinococcus granulosus	biogenic amine 5HT receptor	0.0138	0.5102	0.5102
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0138	0.5102	0.5102
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0138	0.5102	0.6244
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0138	0.5102	0.6244
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0138	0.5102	0.5102
Schistosoma mansoni	hypothetical protein	0.0138	0.5102	0.5102
Onchocerca volvulus		0.0027	0.0539	0.0459
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Echinococcus granulosus	neuropeptide Y receptor	0.0138	0.5102	0.5102
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0539	0.066
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0138	0.5102	0.5016
Onchocerca volvulus		0.0138	0.5102	0.6164
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Echinococcus multilocularis	neuropeptide Y receptor	0.0138	0.5102	0.5102
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0138	0.5102	0.5102
Schistosoma mansoni	growth hormone secretagogue receptor	0.0138	0.5102	0.5102
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Echinococcus granulosus	neuropeptide receptor	0.0138	0.5102	0.5102
Brugia malayi	sulfakinin receptor protein	0.0138	0.5102	0.6244
Echinococcus multilocularis	sex peptide receptor	0.0138	0.5102	0.5102
Brugia malayi	Cathepsin L-like precursor	0.0027	0.0539	0.066
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0171	0.021
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0138	0.5102	0.5102
Schistosoma mansoni	amine GPCR	0.0138	0.5102	0.5102
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0138	0.5102	0.5102
Onchocerca volvulus	Cathepsin L homolog	0.0027	0.0539	0.0459
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0138	0.5102	0.6244
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Echinococcus granulosus	neuropeptides capa receptor	0.0138	0.5102	0.5102
Brugia malayi	hypothetical protein	0.0138	0.5102	0.6244
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0138	0.5102	0.5102
Loa Loa (eye worm)	hypothetical protein	0.0256	1	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.0138	0.5102	0.5102
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0018	0.0171	0.021
Entamoeba histolytica	cysteine proteinase, putative	0.0027	0.0539	0.066
Echinococcus multilocularis	serotonin receptor	0.0256	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0027	0.0539	0.066
Echinococcus granulosus	neuropeptide s receptor	0.0138	0.5102	0.5102
Echinococcus granulosus	cathepsin l1	0.0018	0.0171	0.0171
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0539	0.066
Echinococcus multilocularis	somatostatin receptor	0.0138	0.5102	0.5102
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Echinococcus granulosus	g protein coupled receptor	0.0138	0.5102	0.5102
Echinococcus granulosus	g protein coupled receptor	0.0138	0.5102	0.5102
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0138	0.5102	0.5102
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0138	0.5102	0.5016
Echinococcus granulosus	7TM GPCR rhodopsin	0.0138	0.5102	0.5102
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Schistosoma mansoni	myosin xvIII	0.0138	0.5102	0.5102
Onchocerca volvulus	Cathepsin L homolog	0.0027	0.0539	0.0459
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0027	0.0539	0.066
Schistosoma mansoni	neuropeptide receptor	0.0138	0.5102	0.5102
Entamoeba histolytica	cysteine proteinase, putative	0.0027	0.0539	0.066
Brugia malayi	hypothetical protein	0.0138	0.5102	0.6244
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0138	0.5102	0.5102
Onchocerca volvulus		0.0138	0.5102	0.6164
Loa Loa (eye worm)	thymidylate kinase	0.0212	0.817	0.8138
Echinococcus granulosus	neuropeptides capa receptor	0.0138	0.5102	0.5102
Schistosoma mansoni	adenoreceptor	0.0138	0.5102	0.5102
Schistosoma mansoni	biogenic amine receptor	0.0138	0.5102	0.5102
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0138	0.5102	0.5102
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0138	0.5102	0.5102
Onchocerca volvulus		0.0138	0.5102	0.6164
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0138	0.5102	0.5102
Plasmodium vivax	vivapain-2	0.0027	0.0539	0.066
Onchocerca volvulus		0.0138	0.5102	0.6164
Onchocerca volvulus		0.0027	0.0539	0.0459
Echinococcus multilocularis	cysteine protease	0.0027	0.0539	0.0539
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0138	0.5102	0.5102
Brugia malayi	ORL1-like opioid receptor	0.0138	0.5102	0.6244
Echinococcus multilocularis	neuropeptides capa receptor	0.0138	0.5102	0.5102
Brugia malayi	hypothetical protein	0.0138	0.5102	0.6244
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0539	0.066
Trypanosoma cruzi	cysteine peptidase, putative	0.0027	0.0539	0.066
Schistosoma mansoni	neuropeptide F-like receptor	0.0138	0.5102	0.5102
Echinococcus granulosus	fmrfamide receptor	0.0138	0.5102	0.5102
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Brugia malayi	Cathepsin L-like precursor	0.0027	0.0539	0.066
Loa Loa (eye worm)	hypothetical protein	0.0256	1	1
Echinococcus granulosus	neuropeptide FF receptor 2	0.0138	0.5102	0.5102
Schistosoma mansoni	opsin-like receptor	0.0138	0.5102	0.5102
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Echinococcus multilocularis	orexin receptor type 2	0.0138	0.5102	0.5102
Echinococcus multilocularis	G protein coupled receptor 139	0.0138	0.5102	0.5102
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0539	0.066
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0138	0.5102	0.5102
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Brugia malayi	hypothetical protein	0.0138	0.5102	0.6244
Trypanosoma cruzi	UMP-CMP kinase, mitochondrial, putative	0.0083	0.2859	0.3499
Loa Loa (eye worm)	hypothetical protein	0.0138	0.5102	0.5016
Onchocerca volvulus		0.0027	0.0539	0.0459
Schistosoma mansoni	neuropeptide receptor	0.0138	0.5102	0.5102

Activities

Activity type	Activity value	Assay description	Source	Reference
CL (ADMET)	NA 0	Plasma clearance in rat at 10 mL/kg, po	ChEMBL.	16451072
CL (ADMET)	NA 0	Plasma clearance in dog at 5 mL/kg, po	ChEMBL.	16451072
CL (ADMET)	NA 0	Plasma clearance in squirrel monkey at 1 mL/kg, po	ChEMBL.	16451072
CL (ADMET)	NA 0	Plasma clearance in rat at 10 mL/kg, iv	ChEMBL.	16451072
F (ADMET)	NA 0	Oral bioavailability in dogs at 5 mL/kg, po	ChEMBL.	16451072
F (ADMET)	NA 0	Oral bioavailability in rats at 10 mL/kg, po	ChEMBL.	16451072
F (ADMET)	NA 0	Oral bioavailability in squirrel monkey at 1 mL/kg, po	ChEMBL.	16451072
IC50 (binding)		Inhibitory activity against humanized rabbit Cathepsin K	ChEMBL.	16451072
IC50 (binding)		Inhibitory activity against rabbit Cathepsin K	ChEMBL.	16451072
IC50 (binding)		Inhibitory activity against human Cathepsin K	ChEMBL.	16451072
IC50 (binding)	NA 0	Inhibitory activity against humanized rabbit Cathepsin K	ChEMBL.	16451072
IC50 (binding)	NA 0	Inhibitory activity against human Cathepsin K	ChEMBL.	16451072
IC50 (functional)	NA 0	Effect on degradation of collagen in bovine bone by rabbit osteoclast	ChEMBL.	16451072
IC50 (binding)	NA 0	Inhibitory activity against rabbit Cathepsin K	ChEMBL.	16451072
Selectivity ratio (binding)	NA 0	Selectivity for Cathepsin L over Cathepsin K	ChEMBL.	16451072
Selectivity ratio (binding)	NA 0	Selectivity for Cathepsin B over Cathepsin K	ChEMBL.	16451072
Selectivity ratio (binding)	NA 0	Selectivity for Cathepsin S over Cathepsin K	ChEMBL.	16451072
T1/2 (ADMET)	NA 0	Half life in rat at 10 mL/kg, po	ChEMBL.	16451072
T1/2 (ADMET)	NA 0	Half life in dog at 5 mL/kg, po	ChEMBL.	16451072
T1/2 (ADMET)	NA 0	Half life in squirrel monkey at 1 mL/kg, po	ChEMBL.	16451072
T1/2 (ADMET)	NA 0	Half life in rat at 10 mL/kg, iv	ChEMBL.	16451072

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: CHEMBL427377

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 350726