TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 427.578 | Formula: C22H41N3O5
H donors: 3 H acceptors: 4 LogP: 3.24 Rotable bonds: 16
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCC[C@H]([C@H](C(=O)NO)C)C(=O)N[C@H]1CCCCN(C1=O)CCOC
InChi: 1S/C22H41N3O5/c1-4-5-6-7-8-9-12-18(17(2)20(26)24-29)21(27)23-19-13-10-11-14-25(22(19)28)15-16-30-3/h17-19,29H,4-16H2,1-3H3,(H,23,27)(H,24,26)/t17-,18-,19+/m1/s1
InChiKey: TZBWHAVQMPRLJF-QRVBRYPASA-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 3 (stromelysin 1, progelatinase)	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 3 (stromelysin 1, progelatinase)	477 aa	431 aa	34.6 %
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
Giardia lamblia	Hypothetical protein	0.019	0.0457	0.111
Echinococcus multilocularis	hypothetical protein	0.0107	0.0112	0.0143
Schistosoma mansoni	furin-1 (S08 family)	0.1163	0.452	0.452
Echinococcus granulosus	neuroendocrine convertase 2	0.1728	0.688	0.688
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0679	0.2502	0.4446
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0278	0.0824	0.1052
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Schistosoma mansoni	site-1 peptidase (S08 family)	0.0114	0.0142	0.0142
Toxoplasma gondii	subtilisin SUB8	0.0114	0.0142	0.0013
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Brugia malayi	Membrane-bound transcription factor site-1 protease precursor	0.0114	0.0142	0.0142
Entamoeba histolytica	tubulin family protein	0.0114	0.0141	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0112	0.0112
Plasmodium falciparum	amino acid transporter, putative	0.0278	0.0824	1
Mycobacterium ulcerans	proline rich membrane-anchored mycosin MycP5	0.0114	0.0142	0.5
Schistosoma mansoni	tyrosine kinase	0.0198	0.0492	0.0492
Trichomonas vaginalis	tubulin alpha chain, putative	0.0114	0.0141	0.0243
Echinococcus multilocularis	protein will die slowly	0.0146	0.0274	0.0349
Echinococcus granulosus	tubulin beta 1 chain	0.0114	0.0141	0.0141
Entamoeba histolytica	tubulin family protein	0.0114	0.0141	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Brugia malayi	Fibroblast growth factor family protein	0.019	0.0457	0.0457
Echinococcus multilocularis	beta tubulin	0.0114	0.0141	0.018
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0113	0.0136	0.0136
Plasmodium vivax	hypothetical protein, conserved	0.0278	0.0824	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0278	0.0824	1
Brugia malayi	Furin-like cysteine rich region family protein	0.0198	0.0492	0.0492
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1426	0.5622	1
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0529	0.1876	0.1876
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0529	0.1876	0.2392
Echinococcus granulosus	furin	0.2475	1	1
Brugia malayi	beta-tubulin, identical	0.0114	0.0141	0.0141
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0278	0.0824	0.0824
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0198	0.0492	0.0492
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0278	0.0824	0.0824
Trypanosoma cruzi	serine peptidase, clan SB, family S8-like protein	0.0114	0.0142	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Echinococcus multilocularis	Furin 1	0.0679	0.2502	0.3191
Brugia malayi	hypothetical protein	0.0278	0.0824	0.0824
Schistosoma mansoni	sodium/chloride dependent transporter	0.1635	0.6496	0.6496
Brugia malayi	Fibroblast growth factor family protein	0.019	0.0457	0.0457
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0278	0.0824	0.0824
Trypanosoma cruzi	subtilisin peptidase	0.0114	0.0142	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0114	0.0141	0.018
Schistosoma mansoni	tubulin subunit beta	0.0114	0.0141	0.0141
Schistosoma mansoni	hypothetical protein	0.0107	0.0112	0.0112
Schistosoma mansoni	subfamily S8B non-peptidase homologue (S08 family)	0.0679	0.2502	0.2502
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Echinococcus multilocularis	Peptidase S8 S53, subtilisin kexin sedolisin	0.0114	0.0142	0.0181
Schistosoma mansoni	semaphorin 5-related	0.0107	0.0112	0.0112
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0278	0.0824	0.0824
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0142	0.0142
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0278	0.0824	0.5
Brugia malayi	Subtilase family protein	0.0114	0.0142	0.0142
Trypanosoma brucei	serine peptidase, clan SB, family S8-like protein	0.0114	0.0142	1
Loa Loa (eye worm)	hypothetical protein	0.0278	0.0824	0.0824
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0278	0.0824	0.1052
Echinococcus multilocularis	serotonin transporter	0.1635	0.6496	0.8284
Brugia malayi	proprotein convertase 2	0.1728	0.688	0.688
Echinococcus granulosus	membrane bound transcription factor site 1	0.0114	0.0142	0.0142
Echinococcus granulosus	Tubulin beta 2C chain	0.0114	0.0141	0.0141
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Loa Loa (eye worm)	WD40 repeat protein	0.0146	0.0274	0.0274
Loa Loa (eye worm)	hypothetical protein	0.0278	0.0824	0.0824
Schistosoma mansoni	retinoblastoma binding protein	0.0081	0.0005	0.0005
Trichomonas vaginalis	conserved hypothetical protein	0.0517	0.1824	0.3239
Plasmodium falciparum	subtilisin-like protease 1	0.0114	0.0142	0.0013
Treponema pallidum	sodium- and chloride- dependent transporter	0.1635	0.6496	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Leishmania major	subtilisin-like serine peptidase	0.0114	0.0142	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0162	0.0343	0.0343
Loa Loa (eye worm)	plexin A	0.0303	0.0931	0.0931
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0679	0.2502	0.4446
Echinococcus multilocularis	rho associated protein kinase	0.0297	0.0905	0.1154
Echinococcus granulosus	peptidase s8 s53 subtilisin kexin sedolisin	0.0114	0.0142	0.0142
Schistosoma mansoni	sodium/chloride dependent transporter	0.0278	0.0824	0.0824
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0114	0.0141	0.018
Echinococcus granulosus	tubulin beta 4A class IVa	0.0114	0.0141	0.0141
Echinococcus multilocularis	tubulin beta 1 chain	0.0114	0.0141	0.018
Schistosoma mansoni	tubulin subunit beta	0.0114	0.0141	0.0141
Loa Loa (eye worm)	tubulin beta-2A chain	0.0114	0.0141	0.0141
Schistosoma mansoni	hypothetical protein	0.0107	0.0112	0.0112
Brugia malayi	Tubulin beta-1 chain	0.0114	0.0141	0.0141
Trichomonas vaginalis	conserved hypothetical protein	0.0517	0.1824	0.3239
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0278	0.0824	0.0824
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0191	0.0464	0.0592
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0278	0.0824	0.0824
Echinococcus granulosus	neuropeptide FF receptor 2	0.0529	0.1876	0.1876
Trichomonas vaginalis	conserved hypothetical protein	0.0114	0.0142	0.0244
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0278	0.0824	1
Loa Loa (eye worm)	solute carrier family 6 member 4	0.1635	0.6496	0.6496
Loa Loa (eye worm)	hypothetical protein	0.019	0.0457	0.0457
Toxoplasma gondii	subtilisin SUB6	0.0114	0.0142	0.0013
Trichomonas vaginalis	conserved hypothetical protein	0.0517	0.1824	0.3239
Trichomonas vaginalis	leucine-rich repeat protein, BspA family	0.0517	0.1824	0.3239
Trypanosoma cruzi	subtilisin-like serine peptidase, putative	0.0114	0.0142	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0278	0.0824	0.0824
Echinococcus granulosus	serotonin transporter	0.1635	0.6496	0.6496
Toxoplasma gondii	hypothetical protein	0.0278	0.0824	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Loa Loa (eye worm)	BEN-1 protein	0.0114	0.0141	0.0141
Onchocerca volvulus		0.0107	0.0112	0.0121
Mycobacterium leprae	PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5)	0.0114	0.0142	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0114	0.0141	0.0141
Loa Loa (eye worm)	norepinephrine transporter	0.1635	0.6496	0.6496
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0112	0.0112
Echinococcus granulosus	Tubulin beta 2C chain	0.0114	0.0141	0.0141
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0278	0.0824	0.0824
Brugia malayi	neuroendocrine convertase 1 precursor	0.1861	0.7437	0.7437
Trichomonas vaginalis	conserved hypothetical protein	0.0517	0.1824	0.3239
Loa Loa (eye worm)	hypothetical protein	0.2475	1	1
Echinococcus granulosus	rho-associated protein kinase 1	0.0297	0.0905	0.0905
Trypanosoma cruzi	subtilisin-like serine peptidase, putative	0.0114	0.0142	1
Echinococcus multilocularis	membrane bound transcription factor site 1	0.0114	0.0142	0.0181
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Schistosoma mansoni	serine/threonine protein kinase	0.0297	0.0905	0.0905
Toxoplasma gondii	subtilisin SUB11	0.0114	0.0142	0.0013
Loa Loa (eye worm)	sema domain-containing protein	0.0107	0.0112	0.0112
Brugia malayi	Protein kinase domain containing protein	0.0404	0.1354	0.1354
Loa Loa (eye worm)	hypothetical protein	0.0278	0.0824	0.0824
Loa Loa (eye worm)	BEN-1 protein	0.0114	0.0141	0.0141
Loa Loa (eye worm)	hypothetical protein	0.1635	0.6496	0.6496
Giardia lamblia	High cysteine membrane protein Group 2	0.0795	0.2985	1
Giardia lamblia	Furin precursor putative serine protease	0.0565	0.2025	0.6623
Loa Loa (eye worm)	hypothetical protein	0.0404	0.1351	0.1351
Trichomonas vaginalis	tubulin gamma chain, putative	0.0114	0.0141	0.0243
Schistosoma mansoni	plexin	0.0256	0.0735	0.0735
Trichomonas vaginalis	WD repeat domain, putative	0.0146	0.0274	0.0479
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0278	0.0824	0.1052
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0278	0.0824	0.0824
Loa Loa (eye worm)	hypothetical protein	0.0278	0.0824	0.0824
Trichomonas vaginalis	conserved hypothetical protein	0.0517	0.1824	0.3239
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0136	0.0136
Toxoplasma gondii	subtilisin SUB5	0.0114	0.0142	0.0013
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.2475	1	1
Mycobacterium ulcerans	membrane-anchored mycosin MycP3	0.0114	0.0142	0.5
Loa Loa (eye worm)	proprotein convertase 2	0.0679	0.2502	0.2502
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Echinococcus multilocularis	wd40 repeat	0.0081	0.0005	0.0006
Toxoplasma gondii	subtilisin SUB7	0.0114	0.0142	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0136	0.0136
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0679	0.2502	0.4446
Loa Loa (eye worm)	hypothetical protein	0.0529	0.1876	0.1876
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0114	0.0141	0.0243
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0112	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0278	0.0824	0.0824
Trichomonas vaginalis	tubulin beta chain, putative	0.0114	0.0141	0.0243
Echinococcus multilocularis	Tubulin beta 2C chain	0.0114	0.0141	0.018
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0278	0.0824	0.0824
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0679	0.2502	0.4446
Echinococcus granulosus	wd40 repeat	0.0081	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0005	0.0005
Echinococcus multilocularis	tubulin subunit beta	0.0114	0.0141	0.018
Brugia malayi	Matrixin family protein	0.0127	0.0196	0.0196
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0114	0.0141	0.0243
Brugia malayi	plexin A	0.0303	0.0931	0.0931
Echinococcus multilocularis	Tubulin beta 2C chain	0.0114	0.0141	0.018
Onchocerca volvulus		0.1635	0.6496	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0113	0.0136	0.0136
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0278	0.0824	0.0824
Toxoplasma gondii	hypothetical protein	0.0278	0.0824	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0114	0.0141	0.018
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.1426	0.5622	0.5622
Mycobacterium leprae	PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3)	0.0114	0.0142	0.5
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0423	0.0423
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Trichomonas vaginalis	conserved hypothetical protein	0.0517	0.1824	0.3239
Onchocerca volvulus		0.0278	0.0824	0.1223
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0112	0.0112
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.1635	0.6496	0.6496
Trichomonas vaginalis	conserved hypothetical protein	0.0517	0.1824	0.3239
Plasmodium vivax	amine transporter, putative	0.0278	0.0824	1
Onchocerca volvulus		0.0113	0.0136	0.0158
Toxoplasma gondii	subtilisin SUB12	0.0129	0.0203	0.0907
Echinococcus granulosus	Furin 1	0.0679	0.2502	0.2502
Brugia malayi	hypothetical protein	0.0107	0.0112	0.0112
Brugia malayi	celfurPC protein	0.1958	0.7841	0.7841
Trichomonas vaginalis	tubulin, putative	0.0114	0.0141	0.0243
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Loa Loa (eye worm)	endoprotease bli-4	0.2475	1	1
Echinococcus granulosus	epidermal growth factor receptor	0.0198	0.0492	0.0492
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0191	0.0464	0.0464
Echinococcus multilocularis	neuroendocrine convertase 2	0.1728	0.688	0.8775
Schistosoma mansoni	hypothetical protein	0.0146	0.0274	0.0274
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0278	0.0824	0.1052
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4)	0.0114	0.0142	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0114	0.0142	0.0244
Echinococcus granulosus	plexin a4	0.0303	0.0931	0.0931
Schistosoma mansoni	tubulin subunit beta	0.0114	0.0141	0.0141
Brugia malayi	Hypothetical subtilase-type proteinase F21H12.6 in chromosome II	0.0114	0.0142	0.0142
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Plasmodium vivax	subtilisin-like protease 1	0.0114	0.0142	0.0013
Schistosoma mansoni	hypothetical protein	0.0149	0.0288	0.0288
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Trichomonas vaginalis	conserved hypothetical protein	0.0114	0.0142	0.0244
Trichomonas vaginalis	proprotein convertase subtilisin/kexin type, putative	0.0565	0.2025	0.3597
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.0922	0.3517	0.3517
Schistosoma mansoni	plexin	0.0149	0.0288	0.0288
Trichomonas vaginalis	hypothetical protein	0.0517	0.1824	0.3239
Toxoplasma gondii	subtilisin SUB4	0.0114	0.0142	0.0013
Brugia malayi	Will die slowly protein	0.0146	0.0274	0.0274
Trichomonas vaginalis	conserved hypothetical protein	0.0517	0.1824	0.3239
Echinococcus multilocularis	plexin a4	0.0303	0.0931	0.1187
Loa Loa (eye worm)	hypothetical protein	0.019	0.0457	0.0457
Onchocerca volvulus		0.0146	0.0274	0.0372
Onchocerca volvulus		0.0297	0.0905	0.1348
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.1426	0.5622	0.717
Schistosoma mansoni	tubulin subunit beta	0.0114	0.0141	0.0141
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0112	0.0112
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.1426	0.5622	1
Brugia malayi	Trypsin family protein	0.0113	0.0136	0.0136
Toxoplasma gondii	subtilisin SUB1	0.0114	0.0142	0.0013
Plasmodium vivax	subtilisin-like serine protease, putative	0.0114	0.0142	0.0013
Loa Loa (eye worm)	serotonin transporter b	0.1635	0.6496	0.6496
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0117	0.0153	0.0184
Schistosoma mansoni	sodium/chloride dependent transporter	0.0278	0.0827	0.0827
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Schistosoma mansoni	tubulin subunit beta	0.0114	0.0141	0.0141
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3)	0.0114	0.0142	0.5
Loa Loa (eye worm)	tubulin beta-1 chain	0.0114	0.0141	0.0141
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0278	0.0824	0.0824
Echinococcus multilocularis	Tubulin beta 2C chain	0.0114	0.0141	0.018
Plasmodium falciparum	subtilisin-like protease 3	0.0114	0.0142	0.0013
Echinococcus granulosus	sodium and chloride dependent glycine	0.0278	0.0824	0.0824
Trichomonas vaginalis	conserved hypothetical protein	0.0114	0.0142	0.0244
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0278	0.0824	0.0824
Trichomonas vaginalis	conserved hypothetical protein	0.0114	0.0142	0.0244
Echinococcus multilocularis	epidermal growth factor receptor	0.0198	0.0492	0.0628
Schistosoma mansoni	tripeptidyl-peptidase II (S08 family)	0.0114	0.0142	0.0142
Echinococcus granulosus	tubulin subunit beta	0.0114	0.0141	0.0141
Brugia malayi	hypothetical protein	0.0107	0.0112	0.0112
Onchocerca volvulus	Matrilysin homolog	0.0117	0.0153	0.0184
Trypanosoma brucei	subtilisin peptidase	0.0114	0.0142	1
Echinococcus multilocularis	beta tubulin	0.0114	0.0141	0.018
Echinococcus granulosus	semaphorin 5B	0.0107	0.0112	0.0112
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0278	0.0824	0.1052
Echinococcus granulosus	protein will die slowly	0.0146	0.0274	0.0274
Echinococcus granulosus	beta tubulin	0.0114	0.0141	0.0141
Mycobacterium tuberculosis	Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like)	0.0114	0.0142	0.5
Toxoplasma gondii	subtilisin SUB9	0.0114	0.0142	0.0013
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0278	0.0824	0.0824
Schistosoma mansoni	hypothetical protein	0.0517	0.1824	0.1824
Echinococcus multilocularis	semaphorin 5B	0.0107	0.0112	0.0143
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0278	0.0824	0.0824
Loa Loa (eye worm)	tubulin beta-4 chain	0.0114	0.0141	0.0141
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0278	0.0824	0.0824
Trichomonas vaginalis	neuroendocrine convertase 2 precursor, putative	0.0565	0.2025	0.3597
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0112	0.0112
Onchocerca volvulus		0.0278	0.0824	0.1223
Brugia malayi	Sema domain containing protein	0.0107	0.0112	0.0112
Brugia malayi	Sema domain containing protein	0.0107	0.0112	0.0112
Echinococcus granulosus	beta tubulin	0.0114	0.0141	0.0141
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.1635	0.6496	0.6496
Loa Loa (eye worm)	hypothetical protein	0.0256	0.0735	0.0735
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0278	0.0824	0.0824
Onchocerca volvulus		0.0278	0.0824	0.1223
Onchocerca volvulus		0.0296	0.0902	0.1344
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0679	0.2502	0.4446
Plasmodium vivax	subtilisin-like protease 2, putative	0.0114	0.0142	0.0013
Plasmodium falciparum	transporter, putative	0.0278	0.0824	1
Echinococcus granulosus	semaphorin 1A	0.0107	0.0112	0.0112
Echinococcus granulosus	sodium and chloride dependent glycine	0.0278	0.0824	0.0824
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0278	0.0824	0.0824
Toxoplasma gondii	subtilisin SUB2	0.0114	0.0142	0.0013
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0114	0.0142	0.0244
Onchocerca volvulus		0.0256	0.0735	0.1085
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0679	0.2502	0.4446
Trichomonas vaginalis	conserved hypothetical protein	0.0517	0.1824	0.3239
Loa Loa (eye worm)	hypothetical protein	0.1635	0.6496	0.6496
Plasmodium falciparum	subtilisin-like protease 2	0.0114	0.0142	0.0013
Loa Loa (eye worm)	tubulin beta chain	0.0114	0.0141	0.0141
Loa Loa (eye worm)	sema domain-containing protein	0.0107	0.0112	0.0112
Loa Loa (eye worm)	matrixin family protein	0.0127	0.0196	0.0196
Loa Loa (eye worm)	hypothetical protein	0.1096	0.4244	0.4244
Mycobacterium tuberculosis	Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5)	0.0114	0.0142	0.5
Loa Loa (eye worm)	hypothetical protein	0.0278	0.0824	0.0824
Brugia malayi	Plexin repeat family protein	0.0256	0.0735	0.0735
Loa Loa (eye worm)	matrixin family protein	0.0117	0.0153	0.0153
Trichomonas vaginalis	conserved hypothetical protein	0.0517	0.1824	0.3239
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0288	0.0288
Trichomonas vaginalis	conserved hypothetical protein	0.0517	0.1824	0.3239
Loa Loa (eye worm)	hypothetical protein	0.0278	0.0824	0.0824
Loa Loa (eye worm)	subtilase	0.0114	0.0142	0.0142
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0162	0.0343	0.0602
Loa Loa (eye worm)	hypothetical protein	0.1635	0.6496	0.6496
Brugia malayi	Hypothetical WD-repeat protein F21H12.1 in chromosome II	0.0081	0.0005	0.0005
Schistosoma mansoni	tubulin subunit beta	0.0114	0.0141	0.0141
Echinococcus granulosus	Tubulin beta 2C chain	0.0114	0.0141	0.0141
Mycobacterium ulcerans	membrane-anchored serine protease (mycosin), MycP4	0.0114	0.0142	0.5
Echinococcus multilocularis		0.1958	0.7841	1
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0278	0.0824	0.0824
Onchocerca volvulus		0.0114	0.0142	0.0167
Toxoplasma gondii	subtilisin SUB10	0.0114	0.0142	0.0013
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0278	0.0824	1
Schistosoma mansoni	site-1 peptidase (S08 family)	0.0114	0.0142	0.0142
Brugia malayi	Protein kinase domain containing protein	0.0922	0.3517	0.3517
Echinococcus granulosus	Tubulin beta 2C chain	0.0114	0.0141	0.0141
Mycobacterium leprae	Possible secreted protease	0.0114	0.0142	0.5
Loa Loa (eye worm)	beta-tubulin	0.0114	0.0141	0.0141

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 30 nM	Inhibition of matrix metalloproteinase-3 (MMP-3)	ChEMBL.	9873489
IC50 (binding)	= 30 nM	Inhibition of matrix metalloproteinase-3 (MMP-3)	ChEMBL.	9873489
IC50 (binding)	= 112 nM	Inhibition of matrix metalloproteinase-1 (MMP-1)	ChEMBL.	9873489
IC50 (binding)	= 112 nM	Inhibition of matrix metalloproteinase-1 (MMP-1)	ChEMBL.	9873489

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: CHEMBL65578

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 105106