TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 331.408 | Formula: C15H29N3O5
H donors: 5 H acceptors: 5 LogP: 0.47 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CNC(=O)[C@H](NC(=O)[C@@H]([C@@H](C(=O)NO)O)CC(C)C)CC(C)C
InChi: 1S/C15H29N3O5/c1-8(2)6-10(12(19)15(22)18-23)13(20)17-11(7-9(3)4)14(21)16-5/h8-12,19,23H,6-7H2,1-5H3,(H,16,21)(H,17,20)(H,18,22)/t10-,11-,12+/m1/s1
InChiKey: OKGPERFMUXABQD-UTUOFQBUSA-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	matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase)	Starlite/ChEMBL	References
Homo sapiens	matrix metallopeptidase 8 (neutrophil collagenase)	Starlite/ChEMBL	References
Homo sapiens	matrix metallopeptidase 2 (gelatinase A, 72kDa gelatinase, 72kDa type IV 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
Loa Loa (eye worm)	hypothetical protein	0.0028	0.067	0.1033
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.067	0.1033
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0224	0.1603
Onchocerca volvulus		0.0028	0.067	0.1135
Mycobacterium tuberculosis	Probable oxidoreductase	0.0045	0.1399	0.2605
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.2275	0.4559
Leishmania major	cathepsin L-like protease	0.0066	0.2275	0.4559
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0224	0.1603
Plasmodium vivax	vivapain-2	0.0017	0.0224	0.0392
Trichomonas vaginalis	AGC family protein kinase	0.0013	0.005	0.0355
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0045	0.1399	0.1399
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0024	0.0487	0.5168
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0021	0.0398	0.0695
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0943	0.6741
Echinococcus multilocularis	cysteine protease	0.0017	0.0224	0.0224
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0943	0.6741
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0224	0.038
Loa Loa (eye worm)	hypothetical protein	0.0083	0.3014	0.465
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0045	0.1399	0.2803
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0045	0.1399	0.2605
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.0224	0.0224
Loa Loa (eye worm)	ctsf protein	0.0017	0.0224	0.0346
Trypanosoma brucei	trypanothione reductase	0.013	0.499	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0224	0.0346
Onchocerca volvulus	Cathepsin F homolog	0.0017	0.0224	0.038
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0045	0.1399	0.2803
Brugia malayi	Protein kinase domain containing protein	0.0034	0.0943	0.1455
Onchocerca volvulus		0.0017	0.0224	0.038
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0249	1	1
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0062	0.0062
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0943	0.6741
Echinococcus granulosus	cathepsin l1	0.0017	0.0224	0.0224
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0224	0.1603
Brugia malayi	Matrixin family protein	0.0068	0.2384	0.3678
Toxoplasma gondii	thioredoxin reductase	0.013	0.499	1
Loa Loa (eye worm)	cysteine protease	0.0017	0.0224	0.0346
Entamoeba histolytica	protein kinase, putative	0.0034	0.0943	1
Echinococcus multilocularis	lamin	0.0028	0.067	0.067
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0017	0.0224	0.0392
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.0224	0.0346
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0045	0.1399	0.2605
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.2275	0.4559
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0224	0.1603
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0034	0.0943	0.189
Echinococcus granulosus	lamin dm0	0.0028	0.067	0.067
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0224	0.1603
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0224	0.0449
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0224	0.0346
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0068	0.2384	0.4778
Echinococcus multilocularis	lamin dm0	0.0028	0.067	0.067
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0021	0.0388	0.0388
Onchocerca volvulus		0.0097	0.3591	0.6084
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0045	0.1399	0.2158
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0224	0.1603
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0943	0.6741
Leishmania major	cathepsin L-like protease	0.0017	0.0224	0.0449
Brugia malayi	glutathione reductase	0.013	0.499	0.7699
Onchocerca volvulus		0.0017	0.0224	0.038
Leishmania major	cathepsin L-like protease	0.0017	0.0224	0.0449
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0021	0.0398	0.0797
Trypanosoma cruzi	Protein kinase B	0.0024	0.0487	0.0977
Mycobacterium leprae	PROBABLE HYDROLASE	0.0083	0.3014	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0045	0.1399	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0062	0.0095
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0045	0.1399	0.2803
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0045	0.1399	0.2605
Entamoeba histolytica	protein kinase 2, putative	0.0021	0.0398	0.422
Leishmania major	cathepsin L-like protease	0.0017	0.0224	0.0449
Echinococcus granulosus	serine/threonine protein kinase	0.0024	0.0487	0.0487
Trypanosoma cruzi	trypanothione reductase, putative	0.013	0.499	1
Echinococcus multilocularis	cysteine protease	0.0017	0.0224	0.0224
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.2275	0.4559
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.2275	0.4559
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0224	0.1603
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.067	0.1033
Trypanosoma cruzi	cysteine peptidase, putative	0.0017	0.0224	0.0449
Loa Loa (eye worm)	matrixin family protein	0.0152	0.5903	0.9109
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0224	0.1603
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0045	0.1399	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.004	0.0062
Trypanosoma cruzi	trypanothione reductase, putative	0.0045	0.1399	0.2803
Onchocerca volvulus		0.0017	0.0224	0.038
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.013	0.499	0.9292
Echinococcus multilocularis	nervana 2	0.0021	0.0388	0.0388
Plasmodium falciparum	glutathione reductase	0.013	0.499	0.8715
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0224	0.1603
Mycobacterium tuberculosis	Possible mycolic acid synthase UmaA	0.0139	0.5369	1
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.01	0.3718	0.7451
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0224	0.0224
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0045	0.1399	0.2803
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0045	0.1399	0.2803
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0021	0.0398	0.0398
Toxoplasma gondii	cathepsin CPL	0.0017	0.0224	0.0449
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.2275	0.4559
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0045	0.1399	0.2803
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0045	0.1399	0.2803
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0224	0.0346
Brugia malayi	Matrixin family protein	0.0165	0.6481	1
Echinococcus multilocularis	musashi	0.0028	0.067	0.067
Treponema pallidum	NADH oxidase	0.0045	0.1399	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0224	0.1603
Echinococcus granulosus	nervana 2	0.0021	0.0388	0.0388
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0021	0.0398	0.0695
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0224	0.0346
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0045	0.1399	0.2443
Onchocerca volvulus		0.0068	0.2384	0.4039
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0224	0.0224
Echinococcus granulosus	nervana 2	0.0021	0.0388	0.0388
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0224	0.0346
Echinococcus multilocularis	thioredoxin glutathione reductase	0.013	0.499	0.499
Echinococcus granulosus	serine threonine protein kinase nrc	0.0021	0.0398	0.0398
Onchocerca volvulus		0.0017	0.0224	0.038
Plasmodium falciparum	glutathione reductase	0.0045	0.1399	0.2443
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0045	0.1399	0.2803
Trypanosoma cruzi	cruzipain precursor, putative	0.0066	0.2275	0.4559
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.2275	0.4559
Toxoplasma gondii	AGC kinase	0.0032	0.0854	0.1711
Entamoeba histolytica	protein kinase, putative	0.0032	0.0854	0.9052
Echinococcus granulosus	intermediate filament protein	0.0028	0.067	0.067
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0034	0.0943	0.1455
Brugia malayi	p70 ribosomal S6 kinase beta	0.0032	0.0854	0.1317
Brugia malayi	Hemopexin family protein	0.0097	0.3591	0.5542
Loa Loa (eye worm)	fibroinase	0.0017	0.0224	0.0346
Leishmania major	cathepsin L-like protease	0.0017	0.0224	0.0449
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.0224	0.0224
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0045	0.1399	0.2605
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0224	0.0346
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0083	0.3014	0.465
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0033	0.0893	0.1378
Mycobacterium ulcerans	methyltransferase	0.0139	0.5369	1
Echinococcus multilocularis	Glutaredoxin protein 5	0.0021	0.0388	0.0388
Loa Loa (eye worm)	matrix metalloproteinase	0.0068	0.2384	0.3678
Loa Loa (eye worm)	thioredoxin reductase	0.013	0.499	0.7699
Onchocerca volvulus	Matrilysin homolog	0.0152	0.5903	1
Mycobacterium ulcerans	hydrolase	0.0083	0.3014	0.5613
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0224	0.1603
Trichomonas vaginalis	glutathione reductase, putative	0.0045	0.1399	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0017	0.0224	0.0392
Leishmania major	cysteine peptidase A (CPA)	0.0017	0.0224	0.0449
Echinococcus granulosus	lamin	0.0028	0.067	0.067
Schistosoma mansoni	hypothetical protein	0.0097	0.3591	0.7198
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0033	0.0893	0.1378
Schistosoma mansoni	serine/threonine-protein kinase	0.0024	0.0487	0.0977
Echinococcus multilocularis	rac serine:threonine kinase	0.0024	0.0487	0.0487
Plasmodium vivax	phosphoethanolamine N-methyltransferase	0.0148	0.5725	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0045	0.1399	0.2803
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.2275	0.4559
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0224	0.0224
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0045	0.1399	0.2803
Plasmodium vivax	vivapain-2	0.0017	0.0224	0.0392
Brugia malayi	Matrixin family protein	0.0068	0.2384	0.3678
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0152	0.5903	1
Mycobacterium ulcerans	mycolic acid synthase UmaA	0.0139	0.5369	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0224	0.1603
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0224	0.1603
Trypanosoma cruzi	major cysteine proteinase, putative	0.0052	0.168	0.3366
Loa Loa (eye worm)	hypothetical protein	0.0068	0.2384	0.3678
Plasmodium falciparum	thioredoxin reductase	0.0045	0.1399	0.2443
Toxoplasma gondii	NADPH-glutathione reductase	0.0045	0.1399	0.2803
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0045	0.1399	0.2605
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.2275	0.4559
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0224	0.1603
Brugia malayi	Matrixin family protein	0.0068	0.2384	0.3678
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0224	0.1603
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0045	0.1399	0.2803
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0045	0.1399	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0045	0.1399	0.2803
Schistosoma mansoni	serine/threonine-protein kinase	0.0024	0.0487	0.0977
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0224	0.038
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.2275	0.4559
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.2275	0.4559
Loa Loa (eye worm)	hypothetical protein	0.0013	0.004	0.0062
Leishmania major	cathepsin L-like protease	0.0017	0.0224	0.0449
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0045	0.1399	0.2443
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0032	0.0854	0.1317
Schistosoma mansoni	intermediate filament proteins	0.0028	0.067	0.1342
Loa Loa (eye worm)	hypothetical protein	0.0068	0.2384	0.3678
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0124	0.0192
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0224	0.1603
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0083	0.3014	0.5613
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0045	0.1399	0.4641
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0062	0.0062
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0943	0.6741
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0021	0.0398	0.0398
Onchocerca volvulus		0.0017	0.0224	0.038
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0045	0.1399	0.2803
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.2275	0.4559
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0045	0.1399	0.2605
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0224	0.1603
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0224	0.0224
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0943	0.6741
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0045	0.1399	0.2803
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0224	0.2378
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0045	0.1399	0.2443
Schistosoma mansoni	lamin	0.0028	0.067	0.1342
Schistosoma mansoni	lamin	0.0028	0.067	0.1342
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0021	0.0388	0.0388
Plasmodium vivax	thioredoxin reductase, putative	0.013	0.499	0.8715
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0224	0.1603
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0224	0.0449
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0045	0.1399	0.1399
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0045	0.1399	0.2803
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0224	0.1603
Brugia malayi	intermediate filament protein	0.0028	0.067	0.1033
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0017	0.0224	0.0392
Onchocerca volvulus		0.0017	0.0224	0.038
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0648	0.1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.006	0.2033	0.4075
Onchocerca volvulus	Matrilysin homolog	0.0068	0.2384	0.4039
Onchocerca volvulus		0.0028	0.067	0.1135
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0045	0.1399	0.2803
Loa Loa (eye worm)	glutathione reductase	0.013	0.499	0.7699
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.0224	0.0346
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0224	0.1603
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.2275	0.4559
Loa Loa (eye worm)	matrixin family protein	0.0165	0.6481	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0224	0.1603
Echinococcus granulosus	Glutaredoxin protein 5	0.0021	0.0388	0.0388
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0024	0.0487	0.0977
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0224	0.2378
Leishmania major	cathepsin L-like protease	0.0066	0.2275	0.4559
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0045	0.1399	0.2803
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.2275	0.4559
Plasmodium falciparum	phosphoethanolamine N-methyltransferase	0.0148	0.5725	1
Brugia malayi	Thioredoxin reductase	0.013	0.499	0.7699
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0224	0.1603
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0045	0.1399	0.2443
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.2275	0.4559
Loa Loa (eye worm)	hypothetical protein	0.0068	0.2384	0.3678
Mycobacterium tuberculosis	Possible methyltransferase (methylase)	0.0139	0.5369	1
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0045	0.1399	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0224	0.0346
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0045	0.1399	0.2803
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0124	0.0192
Trichomonas vaginalis	mercuric reductase, putative	0.0045	0.1399	1
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0943	0.6741
Plasmodium vivax	glutathione reductase, putative	0.013	0.499	0.8715
Echinococcus multilocularis	nervana 2	0.0021	0.0388	0.0388
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.067	0.1033
Echinococcus granulosus	thioredoxin glutathione reductase	0.013	0.499	0.499
Onchocerca volvulus		0.0017	0.0224	0.038
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0224	0.1603
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0224	0.2378
Leishmania major	cathepsin L-like protease	0.0066	0.2275	0.4559
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0024	0.0487	0.5168
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0224	0.1603
Brugia malayi	Matrixin family protein	0.0068	0.2384	0.3678
Entamoeba histolytica	protein kinase, putative	0.0034	0.0943	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0224	0.1603
Giardia lamblia	Kinase, AGC PKA	0.0021	0.0398	0.2845
Plasmodium falciparum	thioredoxin reductase	0.013	0.499	0.8715
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.0224	0.0346
Leishmania major	trypanothione reductase	0.013	0.499	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.47 nM	Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)	ChEMBL.	9457244
Ki (binding)	= 0.47 nM	Binding affinity towards 72 kDa gelatinase (Matrix metalloproteinase-2)	ChEMBL.	9457244
Ki (binding)	= 0.53 nM	The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)	ChEMBL.	9457244
Ki (binding)	= 0.53 nM	The compound was tested for its binding affinity towards neutrophil collagenase (Matrix metalloproteinase-8)	ChEMBL.	9457244
Ki (binding)	= 2.3 nM	The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)	ChEMBL.	9457244
Ki (binding)	= 2.3 nM	The compound was tested for its binding affinity towards 92 kDa gelatinase (Matrix metalloproteinase-9)	ChEMBL.	9457244
Ki (binding)	= 13 nM	The compound was tested for its binding affinity towards stromelysin.	ChEMBL.	9457244

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: CHEMBL70398

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 116555