TDR Targets

Basic information

Technical information

TDR Targets ID: 329527
Name: [(2S,3S)-1-(3,3-difluoroazetidin-1-yl)-4-(dim ethylamino)-3-[4-(4-fluorophenyl)phenyl]-1,4- dioxobutan-2-yl]azanium; 2,2,2-trifluoroaceta te
MW: 519.437 | Formula: C23H23F6N3O4
H donors: 2 H acceptors: 4 LogP: 0.77 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)C(F)(F)F.Fc1ccc(cc1)c1ccc(cc1)[C@H](C(=O)N(C)C)[C@@H](C(=O)N1CC(C1)(F)F)N
InChi: 1S/C21H22F3N3O2.C2HF3O2/c1-26(2)19(28)17(18(25)20(29)27-11-21(23,24)12-27)15-5-3-13(4-6-15)14-7-9-16(22)10-8-14;3-2(4,5)1(6)7/h3-10,17-18H,11-12,25H2,1-2H3;(H,6,7)/t17-,18-;/m0./s1
InChiKey: KKKFCCNALQNDDX-APTPAJQOSA-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

[(1S,2S)-1-(3,3-difluoroazetidine-1-carbonyl)-3-(dimethylamino)-2-[4-(4-fluorophenyl)phenyl]-3-oxo-propyl]ammonium; 2,2,2-trifluoroacetate
[(1S,2S)-1-[(3,3-difluoro-1-azetidinyl)-oxomethyl]-3-(dimethylamino)-2-[4-(4-fluorophenyl)phenyl]-3-oxopropyl]ammonium; 2,2,2-trifluoroacetate
[(2S,3S)-1-(3,3-difluoroazetidin-1-yl)-4-(dimethylamino)-3-[4-(4-fluorophenyl)phenyl]-1,4-dioxo-butan-2-yl]azanium; 2,2,2-trifluoroethanoate
[(1S,2S)-1-(3,3-difluoroazetidine-1-carbonyl)-3-(dimethylamino)-2-[4-(4-fluorophenyl)phenyl]-3-keto-propyl]ammonium; 2,2,2-trifluoroacetate
[(2S,3S)-1-(3,3-difluoroazetidin-1-yl)-4-dimethylamino-3-[4-(4-fluorophenyl)phenyl]-1,4-dioxobutan-2-yl]azanium; 2,2,2-trifluoroacetate
[(1S,2S)-1-(3,3-difluoroazetidine-1-carbonyl)-3-dimethylamino-2-[4-(4-fluorophenyl)phenyl]-3-oxo-propyl]ammonium; 2,2,2-trifluoroacetate
[(1S,2S)-1-[(3,3-difluoro-1-azetidinyl)-oxomethyl]-3-dimethylamino-2-[4-(4-fluorophenyl)phenyl]-3-oxopropyl]ammonium; 2,2,2-trifluoroacetate
[(1S,2S)-1-(3,3-difluoroazetidine-1-carbonyl)-3-dimethylamino-2-[4-(4-fluorophenyl)phenyl]-3-keto-propyl]ammonium; 2,2,2-trifluoroacetate
[(2S,3S)-1-(3,3-difluoroazetidin-1-yl)-4-dimethylamino-3-[4-(4-fluorophenyl)phenyl]-1,4-dioxo-butan-2-yl]azanium; 2,2,2-trifluoroethanoate

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	dipeptidyl-peptidase 7	Starlite/ChEMBL	References
Homo sapiens	dipeptidyl-peptidase 4	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K01276 dipeptidyl-peptidase II [EC3.4.14.2], putative	Get druggable targets OG5_139351	All targets in OG5_139351
Echinococcus granulosus	Lysosomal Pro X carboxypeptidase	Get druggable targets OG5_139351	All targets in OG5_139351
Brugia malayi	prolyl oligopeptidase family protein	Get druggable targets OG5_128614	All targets in OG5_128614
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	Get druggable targets OG5_128614	All targets in OG5_128614
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	Get druggable targets OG5_128614	All targets in OG5_128614
Schistosoma japonicum	ko:K01278 dipeptidyl-peptidase 4, putative	Get druggable targets OG5_128614	All targets in OG5_128614
Loa Loa (eye worm)	prolyl oligopeptidase	Get druggable targets OG5_128614	All targets in OG5_128614
Candida albicans	dipeptidyl aminopeptidase B	Get druggable targets OG5_128614	All targets in OG5_128614
Candida albicans	dipeptidyl aminopeptidase B	Get druggable targets OG5_128614	All targets in OG5_128614
Echinococcus multilocularis	Lysosomal Pro X carboxypeptidase	Get druggable targets OG5_139351	All targets in OG5_139351
Schistosoma mansoni	family S28 unassigned peptidase (S28 family)	Get druggable targets OG5_139351	All targets in OG5_139351
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	Get druggable targets OG5_128614	All targets in OG5_128614
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	Get druggable targets OG5_128614	All targets in OG5_128614

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma cruzi	serine carboxypeptidase S28, putative	dipeptidyl-peptidase 7	492 aa	471 aa	25.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Papain family cysteine protease containing protein	0.0188	0.0195	0.0195
Onchocerca volvulus		0.0968	0.6714	1
Plasmodium vivax	vivapain-2	0.0327	0.1361	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.1361	0.4699
Schistosoma mansoni	sodium/chloride dependent transporter	0.0968	0.6714	0.6714
Giardia lamblia	Cathepsin B precursor	0.0485	0.2678	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0327	0.1361	0.4699
Echinococcus granulosus	cathepsin L cysteine protease	0.0188	0.0195	0.0195
Giardia lamblia	Cathepsin B precursor	0.0485	0.2678	0.5
Loa Loa (eye worm)	hypothetical protein	0.0232	0.0566	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0353	0.1575	0.1575
Entamoeba histolytica	cysteine proteinase, putative	0.0327	0.1361	1
Echinococcus multilocularis	Lysosomal Pro X carboxypeptidase	0.0456	0.244	0.244
Onchocerca volvulus		0.0353	0.1575	0.2346
Toxoplasma gondii	cathepsin CPL	0.0327	0.1361	0.5084
Echinococcus granulosus	cysteine protease	0.0188	0.0195	0.0195
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.1017	0.7125	0.7125
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1362	1	1
Echinococcus granulosus	cathepsin b	0.1362	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0327	0.1361	0.4699
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.1361	0.4699
Schistosoma mansoni	cathepsin F (C01 family)	0.0327	0.1361	0.1361
Loa Loa (eye worm)	serotonin transporter b	0.0968	0.6714	0.6714
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0327	0.1361	0.4699
Echinococcus granulosus	cathepsin l1	0.0327	0.1361	0.1361
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1362	1	1
Brugia malayi	Cathepsin L-like precursor	0.0232	0.0566	0.0566
Echinococcus multilocularis	serotonin receptor	0.021	0.038	0.038
Onchocerca volvulus		0.0327	0.1361	0.2028
Loa Loa (eye worm)	hypothetical protein	0.021	0.038	0.038
Plasmodium vivax	unspecified product	0.0188	0.0195	0.143
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0327	0.1361	0.4699
Brugia malayi	Cathepsin L-like precursor	0.0327	0.1361	0.1361
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1362	1	1
Loa Loa (eye worm)	hypothetical protein	0.021	0.038	0.038
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0188	0.0195	0.0195
Echinococcus multilocularis	cysteine protease	0.0327	0.1361	0.1361
Brugia malayi	Cathepsin L-like precursor	0.0327	0.1361	0.1361
Treponema pallidum	sodium- and chloride- dependent transporter	0.0968	0.6714	0.5
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0327	0.1361	0.1361
Echinococcus multilocularis	cathepsin L cysteine protease	0.0327	0.1361	0.1361
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.1361	0.4699
Brugia malayi	Cathepsin L-like precursor	0.0327	0.1361	0.1361
Giardia lamblia	Cathepsin B precursor	0.0485	0.2678	0.5
Onchocerca volvulus		0.0327	0.1361	0.2028
Entamoeba histolytica	cysteine proteinase, putative	0.0232	0.0566	0.3182
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0327	0.1361	1
Onchocerca volvulus		0.0327	0.1361	0.2028
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0327	0.1361	0.4699
Brugia malayi	Muscleblind-like protein	0.0174	0.0084	0.0084
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.1361	0.4699
Echinococcus multilocularis	muscleblind protein 1	0.0174	0.0084	0.0084
Echinococcus multilocularis	serotonin receptor	0.021	0.038	0.038
Toxoplasma gondii	cathepsin B	0.0485	0.2678	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0327	0.1361	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.1361	0.4699
Echinococcus multilocularis	cysteine protease	0.0327	0.1361	0.1361
Onchocerca volvulus		0.0232	0.0566	0.0843
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.1361	0.4699
Schistosoma mansoni	family S28 unassigned peptidase (S28 family)	0.0456	0.244	0.244
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0209	0.0375	0.0558
Echinococcus granulosus	cathepsin b	0.1362	1	1
Onchocerca volvulus	Cathepsin F homolog	0.0327	0.1361	0.2028
Brugia malayi	Serotonin receptor	0.0597	0.361	0.361
Brugia malayi	prolyl oligopeptidase family protein	0.0209	0.0375	0.0375
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0327	0.1361	0.4699
Plasmodium vivax	vivapain-2	0.0327	0.1361	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.1361	0.4699
Echinococcus multilocularis	conserved hypothetical protein	0.0789	0.5217	0.5217
Trypanosoma cruzi	cysteine peptidase, putative	0.0327	0.1361	0.119
Schistosoma mansoni	biogenic amine (5HT) receptor	0.021	0.038	0.038
Brugia malayi	Papain family cysteine protease containing protein	0.0188	0.0195	0.0195
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.1361	0.4699
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.1361	0.4699
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.1361	0.4699
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.1361	0.4699
Trypanosoma cruzi	cysteine peptidase, putative	0.0327	0.1361	0.119
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0232	0.0566	0.1495
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.1361	0.4699
Loa Loa (eye worm)	hypothetical protein	0.0327	0.1361	0.1361
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0327	0.1361	1
Echinococcus granulosus	muscleblind protein	0.0174	0.0084	0.0084
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.1361	0.4699
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0232	0.0566	0.0379
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.1361	0.4699
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.1361	0.4699
Plasmodium vivax	vivapain-3	0.0188	0.0195	0.143
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0327	0.1361	0.1361
Loa Loa (eye worm)	fibroinase	0.0327	0.1361	0.1361
Entamoeba histolytica	cysteine protease, putative	0.0327	0.1361	1
Echinococcus multilocularis	serotonin transporter	0.0968	0.6714	0.6714
Echinococcus multilocularis	cathepsin L cysteine protease	0.0327	0.1361	0.1361
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0188	0.0195	0.143
Trypanosoma cruzi	cysteine peptidase, putative	0.0327	0.1361	0.119
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.1361	0.4699
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0232	0.0566	0.1495
Onchocerca volvulus		0.0327	0.1361	0.2028
Echinococcus granulosus	cathepsin L	0.0188	0.0195	0.0195
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0327	0.1361	0.4699
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0327	0.1361	0.1361
Onchocerca volvulus		0.0327	0.1361	0.2028
Onchocerca volvulus		0.0327	0.1361	0.2028
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.1361	0.4699
Loa Loa (eye worm)	hypothetical protein	0.0968	0.6714	0.6714
Schistosoma mansoni	cathepsin F (C01 family)	0.0232	0.0566	0.0566
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0164	0	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.021	0.038	0.038
Schistosoma mansoni	cathepsin F (C01 family)	0.0327	0.1361	0.1361
Brugia malayi	Cathepsin L-like precursor	0.0327	0.1361	0.1361
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0968	0.6714	0.6714
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0968	0.6714	0.6714
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0485	0.2678	0.2532
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0188	0.0195	0.0195
Onchocerca volvulus	Cathepsin L homolog	0.0327	0.1361	0.2028
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0501	0.2812	0.2812
Echinococcus granulosus	serotonin transporter	0.0968	0.6714	0.6714
Brugia malayi	cathepsin L-like precursor	0.0232	0.0566	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0084	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0084	0.0084
Trypanosoma cruzi	cysteine peptidase, putative	0.0327	0.1361	0.119
Brugia malayi	hypothetical protein	0.0353	0.1575	0.1575
Entamoeba histolytica	cysteine proteinase, putative	0.0327	0.1361	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0327	0.1361	0.1361
Echinococcus granulosus	biogenic amine 5HT receptor	0.0501	0.2812	0.2812
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0485	0.2678	1
Loa Loa (eye worm)	cysteine protease	0.0327	0.1361	0.1361
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.1361	0.4699
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0209	0.0375	0.0375
Echinococcus multilocularis	muscleblind protein	0.0174	0.0084	0.0084
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.1361	0.4699
Echinococcus granulosus	hypothetical protein	0.086	0.5807	0.5807
Echinococcus multilocularis	cathepsin b	0.1362	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0327	0.1361	0.2028
Loa Loa (eye worm)	hypothetical protein	0.1362	1	1
Plasmodium vivax	vivapain-1	0.0188	0.0195	0.143
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.1361	0.4699
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0327	0.1361	0.4699
Loa Loa (eye worm)	cathepsin B	0.0485	0.2678	0.2678
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.1361	0.4699
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0327	0.1361	0.1361
Echinococcus granulosus	tm gpcr rhodopsin	0.1017	0.7125	0.7125
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.1361	0.4699
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.1361	0.4699
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0188	0.0195	0.0195
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0209	0.0375	0.0375
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0327	0.1361	0.4699
Loa Loa (eye worm)	prolyl oligopeptidase	0.0209	0.0375	0.0375
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.1361	0.4699
Echinococcus granulosus	cathepsin l1	0.0232	0.0566	0.0566
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0327	0.1361	0.1361
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0209	0.0375	0.0375
Onchocerca volvulus		0.0327	0.1361	0.2028
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0501	0.2812	0.2812
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1362	1	1
Echinococcus multilocularis	cathepsin b	0.1362	1	1
Brugia malayi	Cathepsin L-like precursor	0.0327	0.1361	0.1361
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0327	0.1361	0.4699
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0327	0.1361	0.4699
Brugia malayi	Cathepsin L-like precursor	0.0232	0.0566	0.0566
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0947	0.6537	0.6537
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0968	0.6714	0.6714
Loa Loa (eye worm)	hypothetical protein	0.0968	0.6714	0.6714
Loa Loa (eye worm)	ctsf protein	0.0327	0.1361	0.1361
Loa Loa (eye worm)	hypothetical protein	0.0232	0.0566	0.0566
Loa Loa (eye worm)	norepinephrine transporter	0.0968	0.6714	0.6714
Loa Loa (eye worm)	hypothetical protein	0.0968	0.6714	0.6714
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0485	0.2678	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0327	0.1361	0.119
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.1361	0.4699
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0232	0.0566	0.0566
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0485	0.2678	1
Echinococcus multilocularis	cathepsin L	0.0188	0.0195	0.0195
Echinococcus granulosus	Lysosomal Pro X carboxypeptidase	0.0456	0.244	0.244
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0485	0.2678	0.2678
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1362	1	1
Loa Loa (eye worm)	hypothetical protein	0.0232	0.0566	0.0566
Brugia malayi	Papain family cysteine protease containing protein	0.0327	0.1361	0.1361
Brugia malayi	Cathepsin L-like precursor	0.0327	0.1361	0.1361

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.029 uM	Inhibitory concentration against dipeptidyl-peptidase IV	ChEMBL.	15908206
IC50 (binding)	= 0.029 uM	Inhibitory concentration against dipeptidyl-peptidase IV	ChEMBL.	15908206
IC50 (binding)	= 9.4 uM	Inhibitory concentration against dipeptidyl-peptidase II (QPP)	ChEMBL.	15908206
IC50 (binding)	= 9.4 uM	Inhibitory concentration against dipeptidyl-peptidase II (QPP)	ChEMBL.	15908206
IC50 (binding)	> 100 uM	Inhibitory concentration against dipeptidyl-peptidase 8	ChEMBL.	15908206
IC50 (binding)	> 100 uM	Inhibitory concentration against dipeptidyl-peptidase 9	ChEMBL.	15908206
IC50 (binding)	> 100 uM	Inhibitory concentration against dipeptidyl-peptidase 8	ChEMBL.	15908206
IC50 (binding)	> 100 uM	Inhibitory concentration against dipeptidyl-peptidase 9	ChEMBL.	15908206

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: CHEMBL364355
PubChem: 23645494

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 329527