TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 558.708 | Formula: C34H42N2O5
H donors: 3 H acceptors: 4 LogP: 6.44 Rotable bonds: 16
Rule of 5 violations (Lipinski): 2
SMILES: CO[C@H](c1ccccc1)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@@H](CC(=O)O)CCCc1ccc(c(c1)C)c1ccccc1
InChi: 1S/C34H42N2O5/c1-23-21-24(19-20-28(23)25-14-8-6-9-15-25)13-12-18-27(22-29(37)38)31(39)35-30(34(2,3)4)32(40)36-33(41-5)26-16-10-7-11-17-26/h6-11,14-17,19-21,27,30,33H,12-13,18,22H2,1-5H3,(H,35,39)(H,36,40)(H,37,38)/t27-,30-,33-/m1/s1
InChiKey: FOOIUOKCYUZPDW-YCLCTBJKSA-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 13 (collagenase 3)	Starlite/ChEMBL	References
Homo sapiens	matrix metallopeptidase 3 (stromelysin 1, progelatinase)	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 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
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.1208	0.3546
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0069	0.0789	0.3476
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0021	0.0068	0.5
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0191	0.2652	0.7782
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0.0068	0.5
Loa Loa (eye worm)	hypothetical protein	0.0188	0.26	0.26
Brugia malayi	hypothetical protein	0.0038	0.0327	0.0327
Echinococcus granulosus	FTZ F1 alpha	0.0099	0.1242	0.3959
Schistosoma mansoni	ap endonuclease	0.0021	0.0068	0.02
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0099	0.1242	0.1242
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0047	0.0451	0.0451
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0047	0.0451	0.1438
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.1208	0.385
Brugia malayi	bZIP transcription factor family protein	0.0193	0.268	0.268
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0451	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0128	0.0128
Entamoeba histolytica	protein kinase, putative	0.0087	0.1065	0.5302
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0128	0.0445
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0128	0.0445
Echinococcus multilocularis	lamin dm0	0.0026	0.0146	0.0428
Schistosoma mansoni	hypothetical protein	0.0143	0.191	0.5605
Onchocerca volvulus		0.0026	0.0146	0.0026
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0128	0.0321
Echinococcus granulosus	metabotropic glutamate receptor 5	0.005	0.0507	0.1615
Onchocerca volvulus		0.0152	0.205	0.2831
Echinococcus multilocularis	dual specificity	0.0087	0.1065	0.3126
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0099	0.1242	0.1242
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0099	0.1242	0.3646
Schistosoma mansoni	nuclear receptor	0.0047	0.0451	0.1324
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0146	0.0146
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.1208	0.3546
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0099	0.1242	0.3646
Onchocerca volvulus	Matrilysin homolog	0.0117	0.1518	0.2048
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0128	0.0445
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1242	0.1242
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0128	0.0566
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0552	0.0552
Brugia malayi	Nuclear hormone receptor-like 1	0.0099	0.1242	0.1242
Brugia malayi	Nuclear hormone receptor E75	0.0047	0.0451	0.0451
Schistosoma mansoni	metabotropic glutamate receptor	0.002	0.0046	0.0136
Entamoeba histolytica	hypothetical protein	0.0087	0.1065	0.5302
Schistosoma mansoni	retinoic acid receptor RXR	0.0099	0.1242	0.3646
Schistosoma mansoni	hypothetical protein	0.0036	0.0296	0.087
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1242	0.1242
Brugia malayi	MH2 domain containing protein	0.0116	0.1511	0.1511
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0068	0.5
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.0031	0.5
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0451	0.0451
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0099	0.1242	0.3646
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0099	0.1242	0.1242
Schistosoma mansoni	lozenge	0.0059	0.0644	0.189
Brugia malayi	Matrixin family protein	0.0053	0.0544	0.0544
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0087	0.1065	0.5302
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0068	1
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0046	0.0449	0.1316
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0099	0.1242	0.3646
Schistosoma mansoni	hypothetical protein	0.0157	0.213	0.6251
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0145	0.1949	0.621
Echinococcus granulosus	ecdysone induced protein 78C	0.0099	0.1242	0.3959
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0052	0.0536	0.0536
Onchocerca volvulus		0.0047	0.0451	0.0475
Brugia malayi	nuclear hormone receptor	0.0099	0.1242	0.1242
Onchocerca volvulus	Protein ultraspiracle homolog	0.0099	0.1242	0.1641
Schistosoma mansoni	coup transcription factor	0.0099	0.1242	0.3646
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0128	0.0445
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0327	0.096
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1242	0.1242
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0099	0.1242	0.1242
Brugia malayi	nuclear hormone receptor family member odr-7	0.0047	0.0451	0.0451
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0068	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0099	0.1242	0.1242
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0235	0.3321	0.3321
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0069	0.0789	0.3476
Schistosoma mansoni	nuclear receptor nhr-48	0.0047	0.0451	0.1324
Schistosoma mansoni	nuclear hormone receptor	0.0099	0.1242	0.3646
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0099	0.1242	0.3959
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0087	0.1065	0.1065
Schistosoma mansoni	serine/threonine protein kinase	0.0087	0.1065	0.3126
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0068	0.0217
Schistosoma mansoni	thyroid hormone receptor	0.0241	0.3408	1
Echinococcus multilocularis	transcription factor Dp 1	0.0084	0.102	0.2994
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0128	0.0445
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0047	0.0451	0.1438
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0031	0.0031
Schistosoma mansoni	hypothetical protein	0.0038	0.0327	0.096
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0047	0.0451	0.0451
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0099	0.1242	0.3959
Schistosoma mansoni	zinc finger protein	0.0047	0.0451	0.1324
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0146	0.0428
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0034	0.0263	0.0773
Entamoeba histolytica	hypothetical protein	0.0038	0.0327	0.1377
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0068	0.5
Echinococcus granulosus	lamin dm0	0.0026	0.0146	0.0465
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0536	0.0536
Entamoeba histolytica	protein kinase, putative	0.0087	0.1065	0.5302
Entamoeba histolytica	hypothetical protein	0.0038	0.0327	0.1377
Brugia malayi	ecdysone receptor	0.0047	0.0451	0.0451
Schistosoma mansoni	aldehyde dehydrogenase	0.0069	0.0789	0.2315
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0536	0.0536
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0047	0.0451	0.1438
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0099	0.1242	0.1242
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0682	0.0682
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1242	0.1242
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0052	0.0536	0.1573
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0031	0.0079
Onchocerca volvulus		0.0472	0.6915	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0128	0.0445
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0536	0.0536
Onchocerca volvulus		0.0047	0.0451	0.0475
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0552	0.0552
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0451	0.0451
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.0149	0.2006	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0069	0.0789	0.2514
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0099	0.1242	0.3646
Brugia malayi	Nuclear hormone receptor-like 1	0.0052	0.0536	0.0536
Loa Loa (eye worm)	glutamate receptor	0.0041	0.0364	0.0364
Echinococcus granulosus	lamin	0.0026	0.0146	0.0465
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0451	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1242	0.1242
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0099	0.1242	0.3646
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0096	0.1208	0.1208
Brugia malayi	Hemopexin family protein	0.0075	0.0878	0.0878
Echinococcus granulosus	jun protein	0.0193	0.268	0.854
Echinococcus multilocularis	lamin	0.0026	0.0146	0.0428
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0041	0.0364	0.0364
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0146	0.0146
Brugia malayi	hypothetical protein	0.0052	0.0536	0.0536
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0099	0.1242	0.3959
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0099	0.1242	0.3646
Onchocerca volvulus	Matrilysin homolog	0.0053	0.0544	0.0613
Brugia malayi	nuclear receptor NHR-88	0.0047	0.0451	0.0451
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0069	0.0789	0.3834
Entamoeba histolytica	protein kinase domain containing protein	0.0087	0.1065	0.5302
Loa Loa (eye worm)	hypothetical protein	0.0086	0.1058	0.1058
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0682	0.0682
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0451	0.0451
Brugia malayi	ecdysteroid receptor	0.0099	0.1242	0.1242
Loa Loa (eye worm)	DR-78	0.0047	0.0451	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0162	0.2211	0.2211
Brugia malayi	nuclear receptor RXR	0.0052	0.0536	0.0536
Brugia malayi	photoreceptor-specific nuclear receptor	0.0099	0.1242	0.1242
Schistosoma mansoni	lamin	0.0026	0.0146	0.0428
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0145	0.1949	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0047	0.0451	0.1438
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0682	0.2001
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0047	0.0451	0.1324
Schistosoma mansoni	d-amino acid oxidase	0.0162	0.2211	0.6488
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0068	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0099	0.1242	0.1242
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0099	0.1242	0.1242
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0451	0.0451
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0099	0.1242	0.3646
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0031	0.0031
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0047	0.0451	0.0475
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0117	0.1518	0.2048
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0128	0.0566
Brugia malayi	nuclear receptor NHR-67	0.0047	0.0451	0.0451
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0128	0.0128
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0193	0.268	0.7865
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0241	0.3408	1
Brugia malayi	tailless protein	0.0047	0.0451	0.0451
Brugia malayi	nuclear receptor RXR	0.0047	0.0451	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0128	0.0128
Onchocerca volvulus		0.0026	0.0146	0.0026
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0047	0.0451	0.0451
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.1208	0.385
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0099	0.1242	0.1242
Brugia malayi	Matrixin family protein	0.0053	0.0544	0.0544
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0099	0.1242	0.3646
Schistosoma mansoni	jun-related protein	0.0157	0.213	0.6251
Brugia malayi	Matrixin family protein	0.0127	0.1678	0.1678
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0451	0.0451
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.1511	0.1511
Echinococcus multilocularis	ecdysone induced protein 78C	0.0099	0.1242	0.3646
Loa Loa (eye worm)	hypothetical protein	0.0472	0.6915	0.6915
Echinococcus multilocularis	hormone sensitive lipase	0.0223	0.3138	0.9209
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0047	0.0451	0.1324
Echinococcus granulosus	dual specificity	0.0087	0.1065	0.3394
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0047	0.0451	0.1324
Brugia malayi	Nuclear hormone receptor-like 1	0.0052	0.0536	0.0536
Schistosoma mansoni	RAR-like nuclear receptor	0.0099	0.1242	0.3646
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0128	0.0128
Loa Loa (eye worm)	nuclear hormone receptor	0.0047	0.0451	0.0451
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0145	0.1949	0.5718
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0682	0.2173
Loa Loa (eye worm)	steroid hormone receptor	0.0099	0.1242	0.1242
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0031	0.0031
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0064	0.0719	0.0719
Brugia malayi	RNA binding protein	0.0062	0.0682	0.0682
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0451	0.0451
Echinococcus granulosus	thyroid hormone receptor alpha	0.0047	0.0451	0.1438
Echinococcus granulosus	transcription factor Dp 1	0.0084	0.102	0.3252
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0223	0.3138	0.9209
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0682	0.0682
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0099	0.1242	0.1242
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0099	0.1242	0.1242
Onchocerca volvulus		0.0099	0.1242	0.1641
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0099	0.1242	0.1242
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0145	0.1949	0.1949
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.005	0.0507	0.1487
Brugia malayi	hypothetical protein	0.0047	0.0451	0.0451
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0087	0.1065	0.5302
Echinococcus multilocularis	Protein lozenge	0.0059	0.0644	0.189
Loa Loa (eye worm)	matrixin family protein	0.0127	0.1678	0.1678
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0451	0.0451
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0327	0.096
Echinococcus granulosus	intermediate filament protein	0.0026	0.0146	0.0465
Loa Loa (eye worm)	matrix metalloproteinase	0.0053	0.0544	0.0544
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0099	0.1242	0.3646
Brugia malayi	steroid hormone receptor	0.0099	0.1242	0.1242
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0031	0.0031
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0047	0.0451	0.1438
Brugia malayi	hypothetical protein	0.0052	0.0536	0.0536
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0096	0.1208	0.1208
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0021	0.0068	0.0263
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0682	0.2001
Brugia malayi	hypothetical protein	0.0152	0.205	0.205
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0145	0.1949	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0544	0.0544
Loa Loa (eye worm)	hypothetical protein	0.005	0.0507	0.0507
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0536	0.0536
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0682	0.2001
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0099	0.1242	0.1242
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0128	0.0321
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0223	0.3138	0.9209
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0047	0.0451	0.1324
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0069	0.0789	0.2315
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0099	0.1242	0.3959
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0552	0.0552
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0146	0.0146
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0099	0.1242	0.3646
Brugia malayi	hypothetical protein	0.0472	0.6915	0.6915
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0327	0.1042
Onchocerca volvulus		0.0053	0.0544	0.0613
Loa Loa (eye worm)	runx1	0.0059	0.0644	0.0644
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0191	0.2652	0.8451
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0193	0.268	0.854
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0544	0.0544
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0296	0.0296
Brugia malayi	nuclear hormone receptor	0.0047	0.0451	0.0451
Mycobacterium ulcerans	hydrolase	0.0064	0.0719	0.3152
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0145	0.1949	0.5718
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0069	0.0789	0.3476
Brugia malayi	nuclear receptor NHR-88	0.0099	0.1242	0.1242
Entamoeba histolytica	hypothetical protein	0.0038	0.0327	0.1377
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0069	0.0789	0.3886
Schistosoma mansoni	hypothetical protein	0.0075	0.0878	0.2578
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0087	0.1065	0.5302
Brugia malayi	hypothetical protein	0.0047	0.0451	0.0451
Brugia malayi	Matrixin family protein	0.0053	0.0544	0.0544
Loa Loa (eye worm)	hypothetical protein	0.0223	0.3138	0.3138
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0128	0.0321
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.0162	0.2211	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1242	0.1242
Echinococcus multilocularis	musashi	0.0026	0.0146	0.0428
Schistosoma mansoni	metabotropic glutamate receptor	0.0034	0.0263	0.0773
Toxoplasma gondii	aldehyde dehydrogenase	0.0069	0.0789	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0544	0.0544
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0451	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0031	0.0031
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0053	0.0544	0.1597
Schistosoma mansoni	thyroid hormone receptor	0.0241	0.3408	1
Onchocerca volvulus		0.0075	0.0878	0.1105
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0682	0.2001
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0099	0.1242	0.3959
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.0128	0.0321
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.1208	0.3546
Echinococcus multilocularis	jun protein	0.0193	0.268	0.7865
Schistosoma mansoni	nuclear hormone receptor	0.0047	0.0451	0.1324
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0099	0.1242	0.1242
Schistosoma mansoni	ap endonuclease	0.0021	0.0068	0.02
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0143	0.191	0.5605
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0682	0.2001
Brugia malayi	metabotropic glutamate receptor type 2	0.002	0.0046	0.0046
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0034	0.0263	0.0839
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0099	0.1242	0.3646
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0068	0.02
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0552	0.0552
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0099	0.1242	0.1242
Schistosoma mansoni	nuclear receptor	0.0047	0.0451	0.1324
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1242	0.1242
Echinococcus multilocularis	FTZ F1 alpha	0.0099	0.1242	0.3646
Loa Loa (eye worm)	hypothetical protein	0.0675	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0099	0.1242	0.1641
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0052	0.0536	0.1573
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0047	0.0451	0.1324
Brugia malayi	Steroid receptor seven-up type 2	0.0099	0.1242	0.1242
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0047	0.0451	0.0475
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.1208	0.3546
Brugia malayi	Protein kinase domain containing protein	0.0087	0.1065	0.1065
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0087	0.1065	0.5302
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0047	0.0451	0.1324
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0064	0.0719	0.3532
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0145	0.1949	1
Brugia malayi	conserved hypotetical protein	0.0047	0.0451	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0086	0.1058	0.1058
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0099	0.1242	0.1242
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0099	0.1242	0.1242
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0451	0.0451
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0223	0.3138	0.9209
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0451	0.0451
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0145	0.1949	0.1949
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0143	0.191	0.6087
Mycobacterium leprae	PROBABLE HYDROLASE	0.0064	0.0719	0.2833
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1242	0.1242
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0128	0.0445
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0128	0.0445
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0719	0.0719
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0145	0.1949	1
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0682	0.0682
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0099	0.1242	0.3959
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0145	0.1949	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0047	0.0451	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0536	0.0536
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0128	0.0128
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0682	0.2001
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.1511	0.1511
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0068	0.0068
Echinococcus granulosus	hormone sensitive lipase	0.0223	0.3138	1
Brugia malayi	TAR-binding protein	0.0062	0.0682	0.0682
Brugia malayi	orphan nuclear receptor NR2E1	0.0047	0.0451	0.0451
Echinococcus multilocularis	nuclear receptor nhr 48	0.0047	0.0451	0.1324
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0099	0.1242	0.1242
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0052	0.0536	0.1573
Loa Loa (eye worm)	hypothetical protein	0.0472	0.6915	0.6915
Brugia malayi	intermediate filament protein	0.0026	0.0146	0.0146
Brugia malayi	follicle stimulating hormone receptor	0.0235	0.3321	0.3321
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.1208	0.3546
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0099	0.1242	0.1242
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0099	0.1242	0.3646
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0296	0.0296
Brugia malayi	Nuclear hormone receptor E75	0.0047	0.0451	0.0451
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0162	0.2211	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0128	0.0321
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0021	0.0068	0.0168
Onchocerca volvulus	Bile acid receptor homolog	0.0099	0.1242	0.1641
Loa Loa (eye worm)	matrixin family protein	0.0117	0.1518	0.1518
Schistosoma mansoni	lamin	0.0026	0.0146	0.0428
Brugia malayi	Matrixin family protein	0.0053	0.0544	0.0544
Entamoeba histolytica	hypothetical protein	0.0038	0.0327	0.1377
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0128	0.0128
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0052	0.0536	0.1708
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0451	0.0451
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0099	0.1242	0.3959
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0037	0.0306	0.0306
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0146	0.0146
Schistosoma mansoni	nuclear hormone receptor	0.0047	0.0451	0.1324
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0047	0.0451	0.1324
Schistosoma mansoni	aldehyde dehydrogenase	0.0069	0.0789	0.2315
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0099	0.1242	0.1242
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0068	0.0068
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0128	0.0321

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 23 nM	Inhibition of human matrix metalloproteinase-3 (MMP-3)	ChEMBL.	12877590
IC50 (binding)	= 23 nM	Inhibition of human matrix metalloproteinase-3 (MMP-3)	ChEMBL.	12877590
IC50 (binding)	= 2300 nM	Inhibition of Matrix metalloproteinase-13	ChEMBL.	12877590
IC50 (binding)	= 2300 nM	Inhibition of Matrix metalloproteinase-13	ChEMBL.	12877590
IC50 (binding)	= 30400 nM	Inhibition of human matrix metalloproteinase-9 (MMP-9)	ChEMBL.	12877590
IC50 (binding)	= 30400 nM	Inhibition of human matrix metalloproteinase-9 (MMP-9)	ChEMBL.	12877590
IC50 (binding)	= 34200 nM	Inhibition of human matrix metalloproteinase-2 (MMP-2)	ChEMBL.	12877590
IC50 (binding)	= 34200 nM	Inhibition of human matrix metalloproteinase-2 (MMP-2)	ChEMBL.	12877590
IC50 (binding)	= 66900 nM	Inhibition of Matrix metalloproteinase-14	ChEMBL.	12877590
IC50 (binding)	= 66900 nM	Inhibition of Matrix metalloproteinase-14	ChEMBL.	12877590
Inhibition (functional)	= -4 %	Keratinocyte Migration over Collagen Type-1 at a concentration of 0.03 (microM)	ChEMBL.	12877590
Inhibition (functional)	= -4 %	Keratinocyte Migration over Collagen Type-1 at a concentration of 0.03 (microM)	ChEMBL.	12877590
Inhibition (functional)	= -2.7 %	Keratinocyte Migration over Collagen Type-1 at a concentration of 0.01 (microM)	ChEMBL.	12877590
Inhibition (functional)	= -2.7 %	Keratinocyte Migration over Collagen Type-1 at a concentration of 0.01 (microM)	ChEMBL.	12877590
Inhibition (functional)	= -1.6 %	Keratinocyte Migration over Collagen Type-1 at a concentration of 0.3 (microM)	ChEMBL.	12877590
Inhibition (functional)	= -1.6 %	Keratinocyte Migration over Collagen Type-1 at a concentration of 0.3 (microM)	ChEMBL.	12877590
Inhibition (functional)	= 2.7 %	Keratinocyte Migration over Collagen Type-1 at a concentration of 0.1 (microM)	ChEMBL.	12877590
Inhibition (functional)	= 2.7 %	Keratinocyte Migration over Collagen Type-1 at a concentration of 0.1 (microM)	ChEMBL.	12877590
Inhibition (binding)	= 14 %	Inhibitory activity against Procollagen C-terminal proteinase (PCP)at a concentration of 100 (microM)	ChEMBL.	12877590
Inhibition (binding)	= 14 %	Inhibitory activity against Procollagen C-terminal proteinase (PCP)at a concentration of 100 (microM)	ChEMBL.	12877590
Inhibition (functional)	= 15.5 %	Keratinocyte Migration over Collagen Type-1 at a concentration of 1.0 (microM)	ChEMBL.	12877590
Inhibition (functional)	= 15.5 %	Keratinocyte Migration over Collagen Type-1 at a concentration of 1.0 (microM)	ChEMBL.	12877590
Inhibition (binding)	= 17 %	Inhibition of Tumor necrosis factor alpha converting enzyme (TACE) at 100 uM	ChEMBL.	12877590
Inhibition (binding)	= 17 %	Inhibition of Tumor necrosis factor alpha converting enzyme (TACE) at 100 uM	ChEMBL.	12877590
Inhibition (functional)	= 18 %	Keratinocyte Migration over Collagen Type-1 at a concentration of 3.0 (microM)	ChEMBL.	12877590
Inhibition (functional)	= 18 %	Keratinocyte Migration over Collagen Type-1 at a concentration of 3.0 (microM)	ChEMBL.	12877590
Inhibition (binding)	= 20 %	Inhibition of human Matrix metalloproteinase-1 (MMP-1) at 100 uM	ChEMBL.	12877590
Inhibition (binding)	= 20 %	Inhibition of human Matrix metalloproteinase-1 (MMP-1) at 100 uM	ChEMBL.	12877590
Inhibition (functional)	= 45.9 %	Keratinocyte Migration over Collagen Type-1 at a concentration of 10 (microM)	ChEMBL.	12877590
Inhibition (functional)	= 45.9 %	Keratinocyte Migration over Collagen Type-1 at a concentration of 10 (microM)	ChEMBL.	12877590
Inhibition (functional)	= 68.8 %	Keratinocyte Migration over Collagen Type-1 at a concentration of 100 (microM)	ChEMBL.	12877590
Inhibition (functional)	= 68.8 %	Keratinocyte Migration over Collagen Type-1 at a concentration of 100 (microM)	ChEMBL.	12877590

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: CHEMBL115460

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 204720