TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 457.627 | Formula: C22H39N3O5S
H donors: 2 H acceptors: 5 LogP: 2.44 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: ONC(=O)[C@H]([C@H](C(=O)N1CCCCC1)CC1CCCC1)CN(S(=O)(=O)C)C1CCCC1
InChi: 1S/C22H39N3O5S/c1-31(29,30)25(18-11-5-6-12-18)16-20(21(26)23-28)19(15-17-9-3-4-10-17)22(27)24-13-7-2-8-14-24/h17-20,28H,2-16H2,1H3,(H,23,26)/t19-,20+/m1/s1
InChiKey: ARFFCGXUOISSHZ-UXHICEINSA-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 2 (gelatinase A, 72kDa gelatinase, 72kDa type IV collagenase)	Starlite/ChEMBL	References
Homo sapiens	matrix metallopeptidase 3 (stromelysin 1, progelatinase)	Starlite/ChEMBL	References
Homo sapiens	matrix metallopeptidase 8 (neutrophil collagenase)	Starlite/ChEMBL	References
Homo sapiens	matrix metallopeptidase 13 (collagenase 3)	Starlite/ChEMBL	References
Homo sapiens	matrix metallopeptidase 1 (interstitial 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 %
Brugia malayi	Matrixin family protein	matrix metallopeptidase 1 (interstitial collagenase)	403 aa	401 aa	27.7 %
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	matrix metallopeptidase 13 (collagenase 3)	471 aa	448 aa	34.1 %
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	matrix metallopeptidase 3 (stromelysin 1, progelatinase)	477 aa	431 aa	34.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0053	0.0165	0.0459
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0043	0.0098	0.0098
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.084	0.5589	0.5589
Trypanosoma cruzi	heat shock protein 85, putative	0.0037	0.0054	0.2242
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0136	0.0739	0.8587
Schistosoma mansoni	endoplasmin	0.0037	0.0054	0.0054
Trypanosoma cruzi	hypothetical protein, conserved	0.0063	0.0234	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0234	0.0651
Brugia malayi	Thioredoxin reductase	0.0054	0.017	0.0474
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0043	0.0098	0.0274
Schistosoma mansoni	hypothetical protein	0.0065	0.0251	0.0251
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0011	0.0011
Echinococcus granulosus	FTZ F1 alpha	0.0043	0.0098	0.0098
Loa Loa (eye worm)	glutathione reductase	0.0054	0.017	0.0474
Schistosoma mansoni	RAR-like nuclear receptor	0.0043	0.0098	0.0098
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0158	0.0158
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0034	0.0033	0.0433
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0053	0.0165	0.0165
Onchocerca volvulus		0.014	0.0767	0.3902
Loa Loa (eye worm)	hypothetical protein	0.0126	0.067	0.1868
Trypanosoma brucei	heat shock protein 90, putative	0.0037	0.0054	0.0746
Leishmania major	heat shock protein 83-1	0.0037	0.0054	0.2242
Brugia malayi	hypothetical protein	0.014	0.0767	0.2139
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0207	0.1225	0.3414
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0165	0.0459
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0207	0.1225	0.3414
Schistosoma mansoni	lipoxygenase	0.0587	0.3847	0.3847
Brugia malayi	Steroid receptor seven-up type 2	0.0043	0.0098	0.0274
Echinococcus granulosus	lamin dm0	0.0031	0.0011	0.0011
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0043	0.0098	0.0274
Schistosoma mansoni	peptidase Clp (S14 family)	0.0089	0.0412	0.0412
Loa Loa (eye worm)	hypothetical protein	0.003	0.0007	0.002
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0043	0.0098	0.0098
Loa Loa (eye worm)	hypothetical protein	0.014	0.0767	0.2139
Mycobacterium ulcerans	hydrolase	0.0154	0.086	0.4714
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0029	0.0002	0.0002
Trypanosoma brucei	trypanothione reductase	0.0054	0.017	0.2338
Loa Loa (eye worm)	hypothetical protein	0.0152	0.085	0.2368
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0251	0.0699
Onchocerca volvulus		0.0126	0.067	0.34
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0053	0.0165	0.0165
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0059	0.0059
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0089	0.0412	0.2253
Brugia malayi	Matrixin family protein	0.0126	0.067	0.1868
Trypanosoma brucei	heat shock protein, putative	0.0037	0.0054	0.0746
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0053	0.0165	0.0165
Echinococcus granulosus	heat shock protein 90	0.0029	0.0002	0.0002
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0043	0.0098	0.0274
Leishmania major	heat shock protein 83-1	0.0037	0.0054	0.2242
Onchocerca volvulus	Huntingtin homolog	0.0139	0.0759	0.386
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0123	0.0645	0.3829
Echinococcus multilocularis	endoplasmin	0.0029	0.0002	0.0002
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0043	0.0098	0.0274
Trypanosoma brucei	heat shock protein, putative	0.0037	0.0054	0.0746
Schistosoma mansoni	hypothetical protein	0.014	0.0767	0.0767
Loa Loa (eye worm)	hypothetical protein	0.0207	0.1225	0.3414
Echinococcus granulosus	lamin	0.0031	0.0011	0.0011
Schistosoma mansoni	hypothetical protein	0.0065	0.0251	0.0251
Echinococcus granulosus	sodium and chloride dependent glycine	0.0053	0.0165	0.0165
Plasmodium vivax	ataxin-2 like protein, putative	0.0054	0.0172	0.2244
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0043	0.0098	0.0274
Echinococcus granulosus	RUN	0.014	0.0767	0.0767
Trypanosoma cruzi	heat shock protein 90, putative	0.0037	0.0054	0.2242
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0053	0.0165	0.0165
Echinococcus multilocularis	geminin	0.0363	0.2304	0.2304
Trypanosoma brucei	heat shock protein, putative	0.0037	0.0054	0.0746
Echinococcus multilocularis	heat shock protein 90	0.0029	0.0002	0.0002
Echinococcus granulosus	endoplasmin	0.0029	0.0002	0.0002
Trypanosoma brucei	heat shock protein, putative	0.0037	0.0054	0.0746
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0034	0.0033	0.0433
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0037	0.0054	1
Toxoplasma gondii	hypothetical protein	0.0053	0.0165	0.3994
Mycobacterium tuberculosis	Probable oxidoreductase	0.0136	0.0739	0.4392
Schistosoma mansoni	microtubule-associated protein tau	0.148	1	1
Brugia malayi	hypothetical protein	0.0152	0.085	0.2368
Plasmodium falciparum	transporter, putative	0.0053	0.0165	0.2146
Echinococcus multilocularis	musashi	0.0031	0.0011	0.0011
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0065	0.0251	0.0251
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0459	0.2965	0.2965
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0053	0.0165	0.0165
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0043	0.0098	0.0098
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0089	0.0412	0.2253
Loa Loa (eye worm)	hypothetical protein	0.0312	0.195	0.5435
Loa Loa (eye worm)	hypothetical protein	0.0126	0.067	0.1868
Brugia malayi	ecdysteroid receptor	0.0043	0.0098	0.0274
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0031	0.0011	0.014
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0043	0.0098	0.0098
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0293	0.1822	1
Schistosoma mansoni	hypothetical protein	0.0038	0.0059	0.0059
Schistosoma mansoni	polycystin 1-related	0.014	0.0767	0.0767
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0053	0.0165	0.0165
Leishmania major	heat shock protein 83-1	0.0037	0.0054	0.2242
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0312	0.195	0.5435
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0034	0.0033	0.0033
Leishmania major	heat shock protein 83-1	0.0037	0.0054	0.2242
Plasmodium vivax	endoplasmin, putative	0.0037	0.0054	0.0707
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0053	0.0165	0.3994
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0043	0.0098	0.0098
Echinococcus multilocularis	heat shock protein	0.0037	0.0054	0.0054
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0053	0.0165	0.0459
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0043	0.0098	0.0098
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0011	0.003
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0043	0.0098	0.0274
Loa Loa (eye worm)	TK/ROR protein kinase	0.0063	0.0234	0.0651
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0034	0.0033	0.1331
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0053	0.0165	0.0165
Echinococcus granulosus	GPCR family 2	0.0065	0.0251	0.0251
Mycobacterium tuberculosis	Probable dehydrogenase	0.0123	0.0645	0.3829
Echinococcus multilocularis	FTZ F1 alpha	0.0043	0.0098	0.0098
Leishmania major	heat shock protein 83-1	0.0037	0.0054	0.2242
Brugia malayi	hypothetical protein	0.0053	0.0165	0.0459
Trypanosoma brucei	heat shock protein, putative	0.0037	0.0054	0.0746
Toxoplasma gondii	hypothetical protein	0.0053	0.0165	0.3994
Brugia malayi	latrophilin 2 splice variant baaae	0.0141	0.0774	0.2157
Brugia malayi	RNA, U transporter 1	0.0083	0.0369	0.103
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.0158	0.044
Leishmania major	heat shock protein 83-1	0.0037	0.0054	0.2242
Schistosoma mansoni	hypothetical protein	0.0065	0.0251	0.0251
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0053	0.0165	0.0165
Brugia malayi	Matrixin family protein	0.0126	0.067	0.1868
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0043	0.0098	0.0098
Leishmania major	heat shock protein 83-1	0.0037	0.0054	0.2242
Brugia malayi	hypothetical protein	0.0139	0.0759	0.2116
Brugia malayi	nuclear hormone receptor	0.0043	0.0098	0.0274
Echinococcus multilocularis	Polycystic kidney disease protein	0.014	0.0767	0.0767
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0098	0.0274
Plasmodium falciparum	heat shock protein 90	0.0037	0.0054	0.0707
Echinococcus multilocularis	heat shock protein 90	0.0037	0.0054	0.0054
Leishmania major	heat shock protein 83-1	0.0037	0.0054	0.2242
Brugia malayi	intermediate filament protein	0.0031	0.0011	0.003
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0123	0.0645	0.7488
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0034	0.0033	0.1331
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0165	0.0459
Brugia malayi	Hemopexin family protein	0.0179	0.1034	0.2882
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0089	0.0412	1
Trypanosoma brucei	Heat shock protein 83, putative	0.0037	0.0054	0.0746
Toxoplasma gondii	heat shock protein 90, putative	0.0037	0.0054	0.1316
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0165	0.0459
Loa Loa (eye worm)	matrixin family protein	0.0305	0.1905	0.5309
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0089	0.0412	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0043	0.0098	0.0098
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0043	0.0098	0.0274
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0053	0.0165	0.0459
Trypanosoma brucei	PAB1-binding protein , putative	0.0054	0.0172	0.2368
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0293	0.1822	1
Echinococcus granulosus	tissue type plasminogen activator	0.0063	0.0234	0.0234
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0043	0.0098	0.0098
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0043	0.0098	0.0098
Loa Loa (eye worm)	thioredoxin reductase	0.0054	0.017	0.0474
Loa Loa (eye worm)	steroid hormone receptor	0.0043	0.0098	0.0274
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0043	0.0098	0.0274
Brugia malayi	heat shock protein 90	0.0037	0.0054	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0098	0.0274
Echinococcus multilocularis	snurportin 1	0.031	0.1938	0.1938
Plasmodium vivax	hypothetical protein, conserved	0.0053	0.0165	0.2146
Trypanosoma brucei	heat shock protein 90, putative	0.0037	0.0054	0.0746
Toxoplasma gondii	LsmAD domain-containing protein	0.0054	0.0172	0.4178
Entamoeba histolytica	hypothetical protein	0.0038	0.0059	1
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0053	0.0165	0.0165
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0126	0.067	0.067
Plasmodium vivax	heat shock protein 86, putative	0.0037	0.0054	0.0707
Schistosoma mansoni	sodium/chloride dependent transporter	0.0312	0.195	0.195
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0053	0.0165	0.0459
Brugia malayi	Isocitrate dehydrogenase	0.0034	0.0033	0.0093
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.005	0.0144	0.0144
Leishmania major	heat shock protein 83-1	0.0037	0.0054	0.2242
Onchocerca volvulus	Huntingtin homolog	0.0139	0.0759	0.386
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0154	0.086	0.2397
Echinococcus granulosus	sodium and chloride dependent glycine	0.0053	0.0165	0.0165
Trypanosoma cruzi	Heat shock protein 83, putative	0.0037	0.0054	0.2242
Echinococcus multilocularis	tissue type plasminogen activator	0.0063	0.0234	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0098	0.0274
Echinococcus multilocularis	ecdysone induced protein 78C	0.0043	0.0098	0.0098
Schistosoma mansoni	coup transcription factor	0.0043	0.0098	0.0098
Plasmodium falciparum	ataxin-2 like protein, putative	0.0054	0.0172	0.2244
Schistosoma mansoni	hypothetical protein	0.0363	0.2304	0.2304
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0034	0.0033	0.0033
Onchocerca volvulus	Matrilysin homolog	0.028	0.1731	0.8869
Echinococcus granulosus	ecdysone induced protein 78C	0.0043	0.0098	0.0098
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0158	0.0158
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0063	0.0234	0.3045
Brugia malayi	hypothetical protein	0.014	0.0767	0.2139
Loa Loa (eye worm)	endoplasmin	0.0037	0.0054	0.0151
Schistosoma mansoni	lamin	0.0031	0.0011	0.0011
Onchocerca volvulus		0.0152	0.085	0.4325
Loa Loa (eye worm)	matrix metalloproteinase	0.0126	0.067	0.1868
Trypanosoma cruzi	heat shock protein 85, putative	0.0037	0.0054	0.2242
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0043	0.0098	0.0098
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0053	0.0165	0.0165
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0034	0.0033	0.0184
Onchocerca volvulus	Matrix metalloproteinase homolog	0.028	0.1731	0.8869
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0165	0.0459
Leishmania major	hypothetical protein, conserved	0.0063	0.0234	1
Loa Loa (eye worm)	hypothetical protein	0.055	0.3588	1
Echinococcus granulosus	geminin	0.0363	0.2304	0.2304
Echinococcus granulosus	neuropeptide s receptor	0.0996	0.6667	0.6667
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0053	0.0165	0.0165
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0089	0.0412	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0065	0.0251	0.0699
Schistosoma mansoni	hypothetical protein	0.0141	0.0774	0.0774
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0043	0.0098	0.0274
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0011	0.003
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0043	0.0098	0.0098
Schistosoma mansoni	hypothetical protein	0.0179	0.1034	0.1034
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0059	0.0059
Entamoeba histolytica	hypothetical protein	0.0038	0.0059	1
Echinococcus granulosus	heat shock protein	0.0037	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0312	0.195	0.5435
Brugia malayi	isocitrate dehydrogenase	0.0034	0.0033	0.0093
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0089	0.0412	1
Onchocerca volvulus	Bile acid receptor homolog	0.0043	0.0098	0.0451
Onchocerca volvulus		0.0043	0.0098	0.0451
Brugia malayi	Matrixin family protein	0.0126	0.067	0.1868
Schistosoma mansoni	rab6-interacting	0.014	0.0767	0.0767
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0273	0.1679	1
Leishmania major	heat shock protein 83-1	0.0037	0.0054	0.2242
Loa Loa (eye worm)	hypothetical protein	0.014	0.0767	0.2139
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0043	0.0098	0.0274
Echinococcus multilocularis	neuropeptide receptor A26	0.0996	0.6667	0.6667
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0053	0.0165	0.3994
Brugia malayi	Nuclear hormone receptor-like 1	0.0043	0.0098	0.0274
Trypanosoma brucei	heat shock protein, putative	0.0037	0.0054	0.0746
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0759	0.2116
Onchocerca volvulus		0.0053	0.0165	0.0793
Schistosoma mansoni	lamin	0.0031	0.0011	0.0011
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0011	0.003
Schistosoma mansoni	hypothetical protein	0.0135	0.0727	0.0727
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0043	0.0098	0.0274
Onchocerca volvulus		0.0053	0.0165	0.0793
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0031	0.0011	0.014
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.031	0.1938	0.5403
Loa Loa (eye worm)	matrixin family protein	0.028	0.1731	0.4824
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0158	0.0158
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0065	0.0251	0.0251
Leishmania major	heat shock protein 83-1	0.0037	0.0054	0.2242
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0098	0.0274
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0053	0.0165	0.0165
Brugia malayi	Kringle domain containing protein	0.0063	0.0234	0.0651
Echinococcus multilocularis	lamin	0.0031	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0759	0.2116
Brugia malayi	Matrixin family protein	0.0126	0.067	0.1868
Schistosoma mansoni	heat shock protein	0.0037	0.0054	0.0054
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0065	0.0251	0.0251
Leishmania major	heat shock protein 83-1	0.0037	0.0054	0.2242
Echinococcus multilocularis	RUN	0.014	0.0767	0.0767
Trypanosoma cruzi	PAB1-binding protein , putative	0.0054	0.0172	0.7342
Echinococcus multilocularis	lipoxygenase domain containing protein	0.014	0.0767	0.0767
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0059	0.0059
Plasmodium falciparum	thioredoxin reductase	0.0054	0.017	0.2216
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0058	0.0201	0.0201
Schistosoma mansoni	thyroid hormone receptor	0.0043	0.0098	0.0098
Brugia malayi	hypothetical protein	0.0035	0.004	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0098	0.0274
Plasmodium falciparum	ataxin-2 like protein, putative	0.0054	0.0172	0.2244
Schistosoma mansoni	hypothetical protein	0.0363	0.2304	0.2304
Loa Loa (eye worm)	hypothetical protein	0.0126	0.067	0.1868
Brugia malayi	Latrophilin receptor protein 2	0.0065	0.0251	0.0699
Echinococcus multilocularis	GPCR, family 2	0.0065	0.0251	0.0251
Trypanosoma brucei	heat shock protein, putative	0.0037	0.0054	0.0746
Leishmania major	heat shock protein 83-1	0.0037	0.0054	0.2242
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0158	0.0158
Schistosoma mansoni	thyroid hormone receptor	0.0043	0.0098	0.0098
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0136	0.0739	0.4392
Echinococcus granulosus	intermediate filament protein	0.0031	0.0011	0.0011
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0053	0.0165	0.0165
Brugia malayi	glutathione reductase	0.0054	0.017	0.0474
Echinococcus multilocularis	isocitrate dehydrogenase	0.0034	0.0033	0.0033
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.084	0.5589	0.5589
Loa Loa (eye worm)	norepinephrine transporter	0.0312	0.195	0.5435
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0034	0.0033	0.0456
Brugia malayi	steroid hormone receptor	0.0043	0.0098	0.0274
Loa Loa (eye worm)	hypothetical protein	0.0154	0.086	0.2397
Schistosoma mansoni	hypothetical protein	0.0063	0.0234	0.0234
Onchocerca volvulus		0.0179	0.1034	0.5277
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0043	0.0098	0.0274
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0058	0.0201	0.1185
Trypanosoma brucei	heat shock protein, putative	0.0037	0.0054	0.0746
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0053	0.0165	0.3994
Toxoplasma gondii	isocitrate dehydrogenase	0.0034	0.0033	0.0805
Toxoplasma gondii	kringle domain-containing protein	0.0063	0.0234	0.5669
Brugia malayi	Doublecortin family protein	0.014	0.0767	0.2139
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0158	0.0158
Schistosoma mansoni	endoplasmin	0.0037	0.0054	0.0054
Plasmodium falciparum	glutathione reductase	0.0054	0.017	0.2216
Schistosoma mansoni	lipoxygenase	0.084	0.5589	0.5589
Echinococcus granulosus	lipoxygenase domain containing protein	0.014	0.0767	0.0767
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0774	0.2157
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0034	0.0033	0.1331
Plasmodium vivax	amine transporter, putative	0.0053	0.0165	0.2146
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0011	0.003
Leishmania major	heat shock protein 83-1	0.0037	0.0054	0.2242
Schistosoma mansoni	retinoic acid receptor RXR	0.0043	0.0098	0.0098
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0312	0.195	0.195
Leishmania major	heat shock protein 83-1	0.0037	0.0054	0.2242
Echinococcus granulosus	peptidase Clp S14 family	0.0058	0.0201	0.0201
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0207	0.1225	0.3414
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0412	0.1149
Trypanosoma cruzi	heat shock protein 85, putative	0.0037	0.0054	0.2242
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0043	0.0098	0.0274
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0053	0.0165	0.0165
Mycobacterium leprae	PROBABLE HYDROLASE	0.0154	0.086	1
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0053	0.0165	0.0459
Echinococcus granulosus	heat shock protein 90	0.0037	0.0054	0.0054
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0043	0.0098	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0172	0.048
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0123	0.0645	0.3829
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0098	0.0274
Schistosoma mansoni	rab6-interacting	0.014	0.0767	0.0767
Trichomonas vaginalis	heat shock protein, putative	0.0037	0.0054	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0043	0.0098	0.0274
Schistosoma mansoni	loxhd1	0.014	0.0767	0.0767
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0034	0.0033	0.0033
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0065	0.0251	0.0699
Trypanosoma cruzi	PAB1-binding protein , putative	0.0054	0.0172	0.7342
Onchocerca volvulus	Protein ultraspiracle homolog	0.0043	0.0098	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0312	0.195	0.5435
Plasmodium vivax	glutathione reductase, putative	0.0054	0.017	0.2216
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0034	0.0033	0.0456
Brugia malayi	nuclear receptor NHR-88	0.0043	0.0098	0.0274
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0043	0.0098	0.0274
Schistosoma mansoni	sodium/chloride dependent transporter	0.0053	0.0165	0.0165
Echinococcus granulosus	thioredoxin glutathione reductase	0.0054	0.017	0.017
Echinococcus granulosus	snurportin 1	0.031	0.1938	0.1938
Mycobacterium tuberculosis	Probable reductase	0.0123	0.0645	0.3829
Schistosoma mansoni	hypothetical protein	0.0065	0.0251	0.0251
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0158	0.0158
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0043	0.0098	0.0098
Trypanosoma cruzi	trypanothione reductase, putative	0.0054	0.017	0.7248
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0043	0.0098	0.0274
Loa Loa (eye worm)	transcription factor SMAD2	0.0125	0.0659	0.1837
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0089	0.0412	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0043	0.0098	0.0098
Echinococcus granulosus	serotonin transporter	0.0312	0.195	0.195
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0043	0.0098	0.0098
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.0158	0.044
Echinococcus multilocularis	microtubule associated protein 2	0.148	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0098	0.0274
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0165	0.0459
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0123	0.0645	0.3829
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0158	0.0158
Entamoeba histolytica	hypothetical protein	0.0038	0.0059	1
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0031	0.0011	0.0097
Leishmania major	heat shock protein 83-1	0.0037	0.0054	0.2242
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0043	0.0098	0.0274
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0031	0.0011	0.0043
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0034	0.0033	0.0033
Echinococcus multilocularis	serotonin transporter	0.0312	0.195	0.195
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0053	0.0165	0.0165
Loa Loa (eye worm)	MH2 domain-containing protein	0.0125	0.0659	0.1837
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0089	0.0412	0.5372
Onchocerca volvulus		0.0312	0.195	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0089	0.0412	0.0412
Leishmania major	heat shock protein 83-1	0.0037	0.0054	0.2242
Schistosoma mansoni	nuclear hormone receptor	0.0043	0.0098	0.0098
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0053	0.0165	0.0165
Onchocerca volvulus		0.0053	0.0165	0.0793
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0043	0.0098	0.0098
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0136	0.0739	0.4392
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0123	0.0645	0.3829
Onchocerca volvulus	Matrilysin homolog	0.0126	0.067	0.34
Entamoeba histolytica	hypothetical protein	0.0038	0.0059	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0043	0.0098	0.0451
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0058	0.0201	0.1185
Onchocerca volvulus		0.0063	0.0234	0.1149
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0165	0.0459
Onchocerca volvulus		0.014	0.0767	0.3902
Brugia malayi	Protein kinase domain containing protein	0.0063	0.0234	0.0651
Brugia malayi	photoreceptor-specific nuclear receptor	0.055	0.3588	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0312	0.195	0.5435
Echinococcus multilocularis	lamin dm0	0.0031	0.0011	0.0011
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0053	0.0165	0.0459
Plasmodium falciparum	cysteine repeat modular protein 1	0.0063	0.0234	0.3045
Treponema pallidum	sodium- and chloride- dependent transporter	0.0312	0.195	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0034	0.0033	0.0093
Plasmodium falciparum	amino acid transporter, putative	0.0053	0.0165	0.2146
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0065	0.0251	0.0251
Echinococcus multilocularis	neuropeptide s receptor	0.0996	0.6667	0.6667
Echinococcus granulosus	Polycystic kidney disease protein	0.014	0.0767	0.0767
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0053	0.0165	0.0165
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0053	0.0165	0.0165
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0154	0.086	0.5114
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0043	0.0098	0.0098
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0459	0.2965	0.2965
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0043	0.0098	0.0274
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0034	0.0033	0.0033
Toxoplasma gondii	thioredoxin reductase	0.0054	0.017	0.4125
Leishmania major	hypothetical protein, conserved	0.0054	0.0172	0.7342
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0058	0.0201	0.2318
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0043	0.0098	0.0098
Leishmania major	trypanothione reductase	0.0054	0.017	0.7248
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0034	0.0033	0.0033
Plasmodium vivax	thioredoxin reductase, putative	0.0054	0.017	0.2216
Loa Loa (eye worm)	heat shock protein 90	0.0037	0.0054	0.0151
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0054	0.017	0.017
Echinococcus multilocularis	lipoxygenase domain containing protein	0.014	0.0767	0.0767
Brugia malayi	hypothetical protein	0.0054	0.0172	0.048
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0054	0.017	0.1
Brugia malayi	Probable ClpP-like protease	0.0089	0.0412	0.1149
Echinococcus granulosus	neuropeptide receptor A26	0.0996	0.6667	0.6667
Brugia malayi	hypothetical protein	0.0038	0.0059	0.0163
Toxoplasma gondii	isocitrate dehydrogenase	0.0034	0.0033	0.0805
Trypanosoma brucei	RNA helicase, putative	0.0135	0.0727	1
Schistosoma mansoni	heat shock protein	0.0037	0.0054	0.0054
Loa Loa (eye worm)	doublecortin family protein	0.014	0.0767	0.2139
Toxoplasma gondii	heat shock protein HSP90	0.0037	0.0054	0.1316
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0043	0.0098	0.0274
Schistosoma mansoni	hypothetical protein	0.031	0.1938	0.1938
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0089	0.0412	0.4779
Brugia malayi	Matrixin family protein	0.0305	0.1905	0.5309
Schistosoma mansoni	sodium/chloride dependent transporter	0.0053	0.0165	0.0165
Toxoplasma gondii	hypothetical protein	0.0031	0.0011	0.026
Brugia malayi	MH2 domain containing protein	0.0125	0.0659	0.1837
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0165	0.0459
Loa Loa (eye worm)	serotonin transporter b	0.0312	0.195	0.5435
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0043	0.0098	0.0098
Brugia malayi	Endoplasmin precursor	0.0037	0.0054	0.0151
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0089	0.0412	0.2104
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0089	0.0412	0.5372
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0089	0.0412	0.0412
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0043	0.0098	0.0098
Plasmodium falciparum	LCCL domain-containing protein	0.014	0.0767	1
Plasmodium vivax	multidomain scavenger receptor, putative	0.014	0.0767	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0043	0.0098	0.0274
Echinococcus granulosus	lipoxygenase domain containing protein	0.014	0.0767	0.0767

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5	Inhibition of MMP3 (unknown origin)	ChEMBL.	17275314
IC50 (binding)	= 5.52	Inhibition of MMP2 (unknown origin)	ChEMBL.	17275314
IC50 (binding)	= 6.7	Inhibition of MMP8 (unknown origin)	ChEMBL.	17275314
IC50 (binding)	= 6.7	Inhibition of MMP13 (unknown origin)	ChEMBL.	17275314
IC50 (binding)	= 20 nM	Inhibition of HFC MMP-1	ChEMBL.	10522712
IC50 (binding)	= 20 nM	Inhibition of HFC MMP-1	ChEMBL.	10522712
IC50 (binding)	= 200 nM	Inhibition of HNC MMP-8	ChEMBL.	10522712
IC50 (binding)	= 200 nM	Inhibition of Coll-3 MMP-13	ChEMBL.	10522712
IC50 (binding)	= 200 nM	Inhibition of HNC MMP-8	ChEMBL.	10522712
IC50 (binding)	= 200 nM	Inhibition of Coll-3 MMP-13	ChEMBL.	10522712
IC50 (binding)	= 3000 nM	Inhibition of Gel-A MMP-2	ChEMBL.	10522712
IC50 (binding)	= 3000 nM	Inhibition of Gel-A MMP-2	ChEMBL.	10522712
IC50 (binding)	= 10000 nM	Inhibition of Strom-1 MMP-3	ChEMBL.	10522712
IC50 (binding)	= 10000 nM	Inhibition of Strom-1 MMP-3	ChEMBL.	10522712
log(1/IC50) (binding)	= 5	Inhibition of MMP3 (unknown origin)	ChEMBL.	17275314
log(1/IC50) (binding)	= 5.52	Inhibition of MMP2 (unknown origin)	ChEMBL.	17275314
log(1/IC50) (binding)	= 6.7	Inhibition of MMP8 (unknown origin)	ChEMBL.	17275314
log(1/IC50) (binding)	= 6.7	Inhibition of MMP13 (unknown origin)	ChEMBL.	17275314

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: CHEMBL318023

Bibliographic References

2 literature references were 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 161607