TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 383.484 | Formula: C22H29N3O3
H donors: 3 H acceptors: 3 LogP: 1.55 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: ONC(=O)[C@H]1CC2(CN[C@@H]1C(=O)N1CCC(=CC1)c1cccc(c1)CC)CC2
InChi: 1S/C22H29N3O3/c1-2-15-4-3-5-17(12-15)16-6-10-25(11-7-16)21(27)19-18(20(26)24-28)13-22(8-9-22)14-23-19/h3-6,12,18-19,23,28H,2,7-11,13-14H2,1H3,(H,24,26)/t18-,19-/m0/s1
InChiKey: MAXWOEDRRCSRHI-OALUTQOASA-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	ADAM metallopeptidase domain 10	Starlite/ChEMBL	References
Homo sapiens	matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase)	Starlite/ChEMBL	References
Homo sapiens	matrix metallopeptidase 1 (interstitial collagenase)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	dihydroceramide desaturase	Get druggable targets OG5_131201	All targets in OG5_131201
Loa Loa (eye worm)	disintegrin family protein	Get druggable targets OG5_131201	All targets in OG5_131201
Echinococcus multilocularis	disintegrin and metalloproteinase	Get druggable targets OG5_131201	All targets in OG5_131201
Schistosoma japonicum	ko:K04712 fatty acid desaturase, putative	Get druggable targets OG5_131201	All targets in OG5_131201
Brugia malayi	Disintegrin family protein	Get druggable targets OG5_131201	All targets in OG5_131201
Echinococcus granulosus	disintegrin and metalloproteinase	Get druggable targets OG5_131201	All targets in OG5_131201

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Matrixin family protein	matrix metallopeptidase 1 (interstitial collagenase)	403 aa	401 aa	27.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0471	0.1782
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0725	0.1607
Schistosoma mansoni	coup transcription factor	0.0081	0.0725	0.0827
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0037	0.0151	0.0167
Schistosoma mansoni	nuclear receptor	0.0038	0.0166	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0225	0.05
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0166	0.0367
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0471	1
Schistosoma mansoni	hypothetical protein	0.0134	0.142	0.1625
Echinococcus granulosus	lamin dm0	0.0026	0.0006	0.0001
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0081	0.0725	0.1607
Trypanosoma cruzi	cytochrome P450, putative	0.0038	0.0163	0.272
Onchocerca volvulus		0.0039	0.0175	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1596	0.3538
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0369	0.0819
Echinococcus granulosus	nuclear receptor nhr 48	0.0038	0.0166	0.0184
Echinococcus multilocularis	lamin	0.0026	0.0006	0.0001
Schistosoma mansoni	nuclear receptor	0.0038	0.0166	0.0184
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0095	0.0903	0.1031
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0037	0.0151	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0369	0.0819
Schistosoma mansoni	organic anion transporter	0.0054	0.0369	0.0418
Leishmania major	cathepsin L-like protease	0.0062	0.0471	1
Echinococcus multilocularis	musashi	0.0026	0.0006	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0725	0.1607
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0038	0.0166	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0029	0.0064
Echinococcus granulosus	follistatin	0.0037	0.0146	0.0162
Echinococcus multilocularis	carboxylesterase 5A	0.0148	0.1596	0.1591
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0081	0.0725	0.1596
Leishmania major	cytochrome p450-like protein	0.0038	0.0163	0.272
Schistosoma mansoni	dihydroceramide desaturase	0.0102	0.0998	0.114
Onchocerca volvulus		0.0037	0.0146	0.0524
Mycobacterium ulcerans	short chain dehydrogenase	0.0552	0.6879	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0039	0.0175	0.0169
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0081	0.0725	0.0827
Schistosoma mansoni	lamin	0.0026	0.0006	0.0001
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0038	0.0166	0.0184
Brugia malayi	hypothetical protein	0.0039	0.0175	0.0374
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0081	0.0725	0.0827
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0038	0.0166	0.016
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0038	0.0166	0.016
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0081	0.0725	0.0827
Schistosoma mansoni	nuclear hormone receptor	0.0081	0.0725	0.0827
Echinococcus multilocularis	lamin dm0	0.0026	0.0006	0.0001
Mycobacterium leprae	PROBABLE HYDROLASE	0.0115	0.1173	1
Loa Loa (eye worm)	matrix metalloproteinase	0.0095	0.0903	0.2002
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0175	0.0388
Onchocerca volvulus		0.0054	0.0369	0.1359
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0371	0.4511	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0081	0.0725	0.072
Schistosoma mansoni	thyroid hormone receptor	0.0081	0.0725	0.0827
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0166	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0146	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0369	0.0819
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0175	0.0388
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.01	0.0972	0.111
Loa Loa (eye worm)	cytochrome P450	0.0029	0.0049	0.0108
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0081	0.0725	0.1596
Mycobacterium ulcerans	hydrolase	0.0115	0.1173	0.1646
Brugia malayi	hypothetical protein	0.0038	0.0166	0.0354
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0037	0.0151	0.5
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0175	0.0388
Echinococcus multilocularis	agrin	0.0037	0.0146	0.0141
Onchocerca volvulus		0.0054	0.0369	0.1359
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0037	0.0146	0.3044
Mycobacterium tuberculosis	Carboxylesterase LipT	0.017	0.1884	0.2687
Schistosoma mansoni	nuclear hormone receptor	0.0038	0.0166	0.0184
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0039	0.0175	0.0169
Onchocerca volvulus	Putative organic anion transporter	0.0054	0.0369	0.1359
Loa Loa (eye worm)	DR-78	0.0038	0.0166	0.0367
Schistosoma mansoni	retinoic acid receptor RXR	0.0081	0.0725	0.0827
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0471	0.1782
Echinococcus granulosus	intermediate filament protein	0.0026	0.0006	0.0001
Echinococcus granulosus	para nitrobenzyl esterase	0.0039	0.0175	0.0194
Plasmodium falciparum	glutathione S-transferase	0.0026	0.0006	0.5
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2679	0.594
Schistosoma mansoni	thyroid hormone receptor	0.0081	0.0725	0.0827
Echinococcus multilocularis	organic anion transporting polypeptide 30B	0.0054	0.0369	0.0364
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0471	0.1782
Loa Loa (eye worm)	kazal-type serine protease inhibitor domain-containing protein	0.0037	0.0146	0.0324
Loa Loa (eye worm)	carboxylesterase	0.0039	0.0175	0.0388
Leishmania major	cathepsin L-like protease	0.0062	0.0471	1
Echinococcus granulosus	disintegrin and metalloproteinase	0.0102	0.0998	0.114
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0166	0.0367
Echinococcus granulosus	organic anion transporting polypeptide 30B	0.0054	0.0369	0.0418
Brugia malayi	nuclear receptor RXR	0.0038	0.0166	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0903	0.2002
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0371	0.4511	0.4508
Onchocerca volvulus	Matrix metalloproteinase homolog	0.021	0.241	0.8991
Brugia malayi	hypothetical protein	0.0043	0.0225	0.0487
Echinococcus granulosus	microtubule associated protein 2	0.0692	0.8708	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0038	0.0166	0.016
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0081	0.0725	0.1596
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0039	0.0175	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0146	0.0324
Plasmodium vivax	glutathione S-transferase, putative	0.0026	0.0006	0.5
Trypanosoma brucei	RNA helicase, putative	0.0211	0.2417	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0037	0.0151	0.2415
Schistosoma mansoni	nuclear receptor nhr-48	0.0038	0.0166	0.0184
Echinococcus granulosus	adam	0.0048	0.0299	0.0337
Echinococcus multilocularis	expressed protein	0.0037	0.0146	0.0141
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0081	0.0725	0.1596
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0038	0.0166	0.0184
Loa Loa (eye worm)	disintegrin family protein	0.0074	0.0635	0.1408
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0471	0.1782
Loa Loa (eye worm)	CYP4Cod1	0.0038	0.0163	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0166	0.0367
Onchocerca volvulus		0.0039	0.0175	0.0631
Schistosoma mansoni	acetylcholinesterase	0.0039	0.0175	0.0194
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0146	0.0324
Onchocerca volvulus		0.0038	0.0166	0.0596
Echinococcus multilocularis	FTZ F1 alpha	0.0081	0.0725	0.072
Brugia malayi	nuclear hormone receptor	0.0081	0.0725	0.1596
Brugia malayi	Carboxylesterase family protein	0.0148	0.1596	0.3529
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0081	0.0725	0.072
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0166	0.0367
Loa Loa (eye worm)	matrixin family protein	0.021	0.241	0.5342
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0043	0.0225	0.022
Echinococcus multilocularis	Blood coagulation inhibitor, Disintegrin	0.0068	0.0553	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0725	0.1607
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0006	0.0014
Onchocerca volvulus		0.0038	0.0166	0.0596
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0081	0.0725	0.0827
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0081	0.0725	0.1596
Brugia malayi	ecdysone receptor	0.0038	0.0166	0.0354
Brugia malayi	nuclear receptor NHR-88	0.0038	0.0166	0.0354
Brugia malayi	hypothetical protein	0.0054	0.0369	0.0806
Brugia malayi	nuclear receptor NHR-88	0.0081	0.0725	0.1596
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0369	0.0819
Echinococcus multilocularis	acetylcholinesterase	0.0148	0.1596	0.1591
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0038	0.0166	0.0184
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0038	0.0166	0.016
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0039	0.0175	0.0185
Brugia malayi	hypothetical protein	0.0054	0.0369	0.0806
Toxoplasma gondii	transporter, major facilitator family protein	0.0054	0.0369	1
Echinococcus multilocularis	acetylcholinesterase	0.0148	0.1596	0.1591
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0038	0.0166	0.0367
Loa Loa (eye worm)	steroid hormone receptor	0.0081	0.0725	0.1607
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0028	0.0029	0.0027
Onchocerca volvulus		0.0054	0.0369	0.1359
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0369	0.0819
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0725	0.1607
Schistosoma mansoni	organic anion transporter	0.0054	0.0369	0.0418
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0081	0.0725	0.1596
Schistosoma mansoni	microtubule-associated protein tau	0.0692	0.8708	1
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0037	0.0151	0.0167
Trypanosoma cruzi	major cysteine proteinase, putative	0.0048	0.0299	0.592
Brugia malayi	sodium-independent organic anion transporter family protein	0.0054	0.0369	0.0806
Onchocerca volvulus	Putative organic anion transporter	0.0054	0.0369	0.1359
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0166	0.0367
Echinococcus multilocularis	Solute carrier organic anion transporter family	0.0054	0.0369	0.0364
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0081	0.0725	0.1596
Brugia malayi	Cytochrome P450 family protein	0.0038	0.0163	0.0349
Onchocerca volvulus	Protein ultraspiracle homolog	0.0081	0.0725	0.2689
Onchocerca volvulus	Matrilysin homolog	0.0095	0.0903	0.3355
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0081	0.0725	0.1607
Brugia malayi	nuclear hormone receptor family member odr-7	0.0038	0.0166	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0166	0.0367
Echinococcus granulosus	acetylcholinesterase	0.0148	0.1596	0.1828
Toxoplasma gondii	protease inhibitor PI2	0.0037	0.0146	0.3044
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0081	0.0725	0.1596
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0081	0.0725	0.1596
Brugia malayi	steroid hormone receptor	0.0081	0.0725	0.1596
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1596	0.3538
Loa Loa (eye worm)	carboxylesterase	0.0148	0.1596	0.3538
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0039	0.0175	0.0194
Echinococcus multilocularis	neuroligin	0.0039	0.0175	0.0169
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0081	0.0725	0.072
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0081	0.0725	0.0827
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0037	0.0151	0.0167
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0037	0.0151	0.5
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0038	0.0166	0.0354
Echinococcus multilocularis	nuclear receptor nhr 48	0.0038	0.0166	0.016
Echinococcus granulosus	Solute carrier organic anion transporter family	0.0054	0.0369	0.0418
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0471	0.1782
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0081	0.0725	0.0827
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0081	0.0725	0.1596
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0081	0.0725	0.0827
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0037	0.0146	0.0311
Trypanosoma brucei	cytochrome P450, putative	0.0038	0.0163	0.0485
Brugia malayi	ecdysteroid receptor	0.0231	0.2679	0.5934
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0037	0.0151	0.032
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0037	0.0146	0.0311
Brugia malayi	hypothetical protein	0.0048	0.0299	0.0649
Trypanosoma cruzi	cruzipain precursor, putative	0.0062	0.0471	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0225	0.05
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0725	0.1607
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0371	0.4511	0.5177
Brugia malayi	Carboxylesterase family protein	0.0039	0.0175	0.0374
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0043	0.0225	0.05
Brugia malayi	Disintegrin family protein	0.0102	0.0998	0.2201
Loa Loa (eye worm)	sodium-independent organic anion transporter	0.0054	0.0369	0.0819
Brugia malayi	glutathione transferase	0.019	0.2148	0.4755
Brugia malayi	Carboxylesterase family protein	0.0039	0.0175	0.0374
Brugia malayi	Nuclear hormone receptor-like 1	0.0043	0.0225	0.0487
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0081	0.0725	0.1607
Trypanosoma cruzi	MFS transporter, putative	0.0054	0.0369	0.76
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0344	0.4164	0.4778
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0148	0.1596	0.1828
Brugia malayi	Matrixin family protein	0.0095	0.0903	0.1991
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0369	0.0819
Brugia malayi	Matrixin family protein	0.0095	0.0903	0.1991
Brugia malayi	Nuclear hormone receptor-like 1	0.0081	0.0725	0.1596
Schistosoma mansoni	RAR-like nuclear receptor	0.0081	0.0725	0.0827
Echinococcus granulosus	thyroid hormone receptor alpha	0.0038	0.0166	0.0184
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0081	0.0725	0.2689
Schistosoma mansoni	nuclear hormone receptor	0.0038	0.0166	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0166	0.0367
Echinococcus granulosus	cytochrome P450 2K1	0.0029	0.0049	0.0049
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0081	0.0725	0.0827
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0081	0.0725	0.072
Echinococcus granulosus	lamin	0.0026	0.0006	0.0001
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0081	0.0725	0.1607
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0175	0.0388
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0471	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0081	0.0725	0.0827
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0175	0.0388
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0037	0.0151	0.043
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0038	0.0166	0.0596
Onchocerca volvulus	Putative organic anion transporter	0.0054	0.0369	0.1359
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0038	0.0166	0.0184
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0038	0.0166	0.0184
Schistosoma mansoni	adam (A disintegrin and metalloprotease	0.0048	0.0299	0.0337
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0471	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0371	0.4511	1
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0037	0.0146	0.3044
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0081	0.0725	0.0827
Loa Loa (eye worm)	agrin synaptic family protein	0.0037	0.0146	0.0324
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0056	0.0401	0.8346
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0471	0.1782
Brugia malayi	Nuclear hormone receptor-like 1	0.0043	0.0225	0.0487
Brugia malayi	SPARC precursor	0.0037	0.0146	0.0311
Brugia malayi	Cytochrome P450 family protein	0.0038	0.0163	0.0349
Brugia malayi	Nuclear hormone receptor E75	0.0038	0.0166	0.0354
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0115	0.1173	0.2589
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0371	0.4511	0.5177
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0725	0.1607
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0081	0.0725	0.0827
Echinococcus granulosus	adam 17 protease	0.0028	0.0029	0.0027
Echinococcus granulosus	subfamily M12B unassigned peptidase	0.0028	0.0029	0.0027
Echinococcus multilocularis	ecdysone induced protein 78C	0.0081	0.0725	0.072
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0115	0.1173	0.1646
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0039	0.0175	0.0194
Brugia malayi	conserved hypotetical protein	0.0038	0.0166	0.0354
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0039	0.0175	0.0194
Echinococcus granulosus	carboxylesterase 5A	0.0148	0.1596	0.1828
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0037	0.0146	0.0311
Brugia malayi	Steroid receptor seven-up type 2	0.0081	0.0725	0.1596
Brugia malayi	nuclear receptor NHR-67	0.0038	0.0166	0.0354
Loa Loa (eye worm)	cytochrome P450 family protein	0.0038	0.0163	0.0362
Brugia malayi	orphan nuclear receptor NR2E1	0.0038	0.0166	0.0354
Brugia malayi	photoreceptor-specific nuclear receptor	0.0081	0.0725	0.1596
Onchocerca volvulus	Matrilysin homolog	0.021	0.241	0.8991
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0081	0.0725	0.072
Echinococcus granulosus	Blood coagulation inhibitor Disintegrin	0.0068	0.0553	0.0628
Onchocerca volvulus	Bile acid receptor homolog	0.0231	0.2679	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0043	0.0225	0.0253
Schistosoma mansoni	follistatin	0.0037	0.0146	0.0162
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0039	0.0175	0.0194
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0166	0.0367
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0471	0.1782
Brugia malayi	nuclear hormone receptor	0.0038	0.0166	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0175	0.0388
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0166	0.0367
Schistosoma mansoni	lamin	0.0026	0.0006	0.0001
Echinococcus multilocularis	ubiquitin specific protease 41	0.0037	0.0151	0.0145
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0039	0.0175	0.0194
Schistosoma mansoni	agrin	0.0037	0.0146	0.0162
Loa Loa (eye worm)	hypothetical protein	0.019	0.2148	0.4762
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0039	0.0175	1
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0028	0.0029	0.0027
Loa Loa (eye worm)	matrixin family protein	0.0229	0.2657	0.589
Brugia malayi	Nuclear hormone receptor E75	0.0038	0.0166	0.0354
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0081	0.0725	0.0827
Echinococcus granulosus	agrin	0.0037	0.0146	0.0162
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0006	0.0001
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0081	0.0725	0.1607
Loa Loa (eye worm)	hypothetical protein	0.0115	0.1173	0.26
Brugia malayi	hypothetical protein	0.0043	0.0225	0.0487
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0471	0.1782
Echinococcus multilocularis	adam	0.0048	0.0299	0.0293
Onchocerca volvulus		0.0095	0.0903	0.3355
Onchocerca volvulus		0.0039	0.0175	0.0631
Echinococcus multilocularis	microtubule associated protein 2	0.0692	0.8708	0.8707
Echinococcus granulosus	FTZ F1 alpha	0.0081	0.0725	0.0827
Echinococcus multilocularis	para nitrobenzyl esterase	0.0039	0.0175	0.0169
Loa Loa (eye worm)	reprolysin	0.0028	0.0029	0.0064
Echinococcus multilocularis	subfamily M12B unassigned peptidase	0.0028	0.0029	0.0023
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0081	0.0725	0.072
Trypanosoma cruzi	cytochrome P450, putative	0.0038	0.0163	0.272
Brugia malayi	cytochrome P450	0.0029	0.0049	0.0094
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0037	0.0151	0.0145
Brugia malayi	Carboxylesterase family protein	0.0039	0.0175	0.0374
Echinococcus granulosus	acetylcholinesterase	0.0148	0.1596	0.1828
Brugia malayi	Carboxylesterase family protein	0.0039	0.0175	0.0374
Echinococcus multilocularis	disintegrin and metalloproteinase	0.0102	0.0998	0.0993
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0081	0.0725	0.1596
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0037	0.0151	0.0167
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0081	0.0725	0.1596
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0037	0.0151	0.2415
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0038	0.0166	0.016
Brugia malayi	secreted modular calcium-binding protein 1	0.0037	0.0146	0.0311
Echinococcus granulosus	BC026374 protein S09 family	0.0039	0.0175	0.0194
Loa Loa (eye worm)	acetylcholinesterase 1	0.0148	0.1596	0.3538
Brugia malayi	prostaglandin transporter	0.0054	0.0369	0.0806
Onchocerca volvulus		0.0054	0.0369	0.1359
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0553	0.1225
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0006	0.0014
Trichomonas vaginalis	spcc417.12 protein, putative	0.0039	0.0175	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0471	0.1782
Onchocerca volvulus		0.0039	0.0175	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0903	0.2002
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0037	0.0151	0.2415
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0006	0.0014
Echinococcus granulosus	neuroligin	0.0039	0.0175	0.0194
Brugia malayi	Cytochrome P450 family protein	0.0029	0.0049	0.0094
Brugia malayi	nuclear receptor RXR	0.0043	0.0225	0.0487
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0471	0.1782
Onchocerca volvulus		0.0081	0.0725	0.2689
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0166	0.0367
Schistosoma mansoni	cytochrome P450	0.0029	0.0049	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0146	0.0324
Echinococcus granulosus	ubiquitin specific protease 41	0.0037	0.0151	0.0167
Echinococcus granulosus	ecdysone induced protein 78C	0.0081	0.0725	0.0827
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0081	0.0725	0.0827
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0037	0.0146	0.0311
Schistosoma mansoni	gliotactin	0.0039	0.0175	0.0194
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0081	0.0725	0.1607
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0038	0.0166	0.0367
Brugia malayi	Cytochrome P450 family protein	0.0029	0.0049	0.0094
Brugia malayi	Matrixin family protein	0.0095	0.0903	0.1991
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0081	0.0725	0.1607
Schistosoma mansoni	zinc finger protein	0.0038	0.0166	0.0184
Loa Loa (eye worm)	carboxylesterase	0.0039	0.0175	0.0388
Brugia malayi	sodium-independent organic anion transporter family protein	0.0054	0.0369	0.0806
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0725	0.1607
Onchocerca volvulus		0.0134	0.142	0.5289
Loa Loa (eye worm)	cytochrome P450 family protein	0.0038	0.0163	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0166	0.0367
Onchocerca volvulus		0.0054	0.0369	0.1359
Brugia malayi	Matrixin family protein	0.0229	0.2657	0.5885
Brugia malayi	hypothetical protein	0.0038	0.0166	0.0354
Brugia malayi	Matrixin family protein	0.0095	0.0903	0.1991
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0081	0.0725	0.072
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0471	0.1782
Brugia malayi	sodium-independent organic anion transporter family protein	0.0054	0.0369	0.0806
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0344	0.4164	0.416
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0225	0.05
Brugia malayi	Hemopexin family protein	0.0134	0.142	0.3138
Mycobacterium tuberculosis	Probable oxidoreductase	0.0552	0.6879	1
Schistosoma mansoni	hypothetical protein	0.0211	0.2417	0.2771
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0043	0.0225	0.0253
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0037	0.0146	0.3044
Loa Loa (eye worm)	nuclear hormone receptor	0.0038	0.0166	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0175	0.0388
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0225	0.05
Echinococcus multilocularis		0.0029	0.0049	0.0043
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0043	0.0225	0.0253
Brugia malayi	Carboxylesterase family protein	0.0148	0.1596	0.3529
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0037	0.0146	0.3044
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0166	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0369	0.0819
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0038	0.0163	0.0168
Brugia malayi	tailless protein	0.0038	0.0166	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0151	0.0334
Leishmania major	cathepsin L-like protease	0.0062	0.0471	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0038	0.0166	0.0596
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0038	0.0166	0.0184
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0081	0.0725	0.0827
Schistosoma mansoni	hypothetical protein	0.0029	0.0049	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0903	0.2002
Onchocerca volvulus		0.0039	0.0175	0.0631
Mycobacterium ulcerans	carboxylesterase, LipT	0.017	0.1884	0.2687
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0225	0.05
Echinococcus multilocularis	follistatin	0.0037	0.0146	0.0141
Schistosoma mansoni	BC026374 protein (S09 family)	0.0039	0.0175	0.0194
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0081	0.0725	0.1596
Loa Loa (eye worm)	cytochrome P450 family protein	0.0029	0.0049	0.0108

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 21 nM	Binding affinity to MMP2 (unknown origin)	ChEMBL.	18036818
IC50 (binding)	= 21 nM	Binding affinity to MMP2 (unknown origin)	ChEMBL.	18036818
IC50 (binding)	= 33 nM	Binding affinity to ADAM10 (unknown origin)	ChEMBL.	18036818
IC50 (binding)	= 33 nM	Binding affinity to ADAM10 (unknown origin)	ChEMBL.	18036818
IC50 (binding)	= 190 nM	Binding affinity to MMP9 (unknown origin)	ChEMBL.	18036818
IC50 (binding)	= 190 nM	Binding affinity to MMP9 (unknown origin)	ChEMBL.	18036818
IC50 (binding)	= 240 nM	Inhibition of HER2 sheddase (unknown origin) in BT474 cells by extracellular domain shedding assay	ChEMBL.	18036818
IC50 (binding)	= 240 nM	Inhibition of HER2 sheddase (unknown origin) in BT474 cells by extracellular domain shedding assay	ChEMBL.	18036818
IC50 (binding)	> 5000 nM	Binding affinity to MMP1 (unknown origin)	ChEMBL.	18036818
IC50 (binding)	> 5000 nM	Binding affinity to MMP1 (unknown origin)	ChEMBL.	18036818

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: CHEMBL402954

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 505720