TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 445.434 | Formula: C23H22F3N3O3
H donors: 1 H acceptors: 4 LogP: 3.26 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCN(C(=O)C1CC1)Cc1cc(ccc1c1cn(c2c1cncc2)CC(=O)O)C(F)(F)F
InChi: 1S/C23H22F3N3O3/c1-2-28(22(32)14-3-4-14)11-15-9-16(23(24,25)26)5-6-17(15)19-12-29(13-21(30)31)20-7-8-27-10-18(19)20/h5-10,12,14H,2-4,11,13H2,1H3,(H,30,31)
InChiKey: VSDUXEZKQSDGKB-UHFFFAOYSA-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	prostaglandin D2 receptor 2	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0223	0.1569	0.5735
Brugia malayi	beta-lactamase family protein	0.0038	0.0104	0.0131
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.0334	0.0233
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0223	0.1569	0.5735
Brugia malayi	Cathepsin L-like precursor	0.0159	0.1061	0.1346
Brugia malayi	Papain family cysteine protease containing protein	0.0129	0.0825	0.1046
Mycobacterium leprae	Probable lipase LipE	0.0038	0.0104	1
Loa Loa (eye worm)	cathepsin B	0.036	0.2658	0.3371
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0104	0.0131
Schistosoma mansoni	cathepsin s	0.0064	0.0307	0.0206
Entamoeba histolytica	cysteine proteinase 2	0.0129	0.0825	0.5257
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0065	0.0317	0.1459
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0065	0.0317	0.0403
Loa Loa (eye worm)	hypothetical protein	0.1019	0.7886	1
Entamoeba histolytica	cysteine proteinase, putative	0.0223	0.1569	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0065	0.0317	0.0216
Trypanosoma cruzi	cysteine peptidase, putative	0.0317	0.2316	0.2843
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1059	0.1343
Entamoeba histolytica	cysteine protease, putative	0.0065	0.0317	0.2023
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	0.2316	0.8661
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0223	0.1569	0.5735
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0223	0.1569	1
Echinococcus multilocularis	muscleblind protein 1	0.0159	0.1059	0.0966
Brugia malayi	beta-lactamase	0.0038	0.0104	0.0131
Brugia malayi	cathepsin B-like cysteine proteinase	0.1019	0.7886	1
Entamoeba histolytica	cysteine proteinase, putative	0.0223	0.1569	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0223	0.1569	0.148
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0065	0.0317	0.0837
Entamoeba histolytica	cysteine proteinase, putative	0.0159	0.1061	0.6766
Plasmodium vivax	vivapain-1	0.0129	0.0825	0.4922
Echinococcus multilocularis	sterol regulatory element binding protein	0.0045	0.0156	0.0053
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.0825	0.2823
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0334	0.0233
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0106	0.0643	0.0545
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0317	0.0837
Plasmodium vivax	unspecified product	0.0065	0.0317	0.1459
Echinococcus granulosus	cathepsin L cysteine protease	0.0129	0.0825	0.0729
Entamoeba histolytica	cysteine proteinase, putative	0.0129	0.0825	0.5257
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0104	0.0131
Entamoeba histolytica	cysteine protease, putative	0.0129	0.0825	0.5257
Brugia malayi	Cathepsin L-like precursor	0.0223	0.1569	0.1989
Echinococcus granulosus	tar DNA binding protein	0.0067	0.0334	0.0233
Brugia malayi	cathepsin F-like cysteine proteinase	0.0065	0.0317	0.0403
Toxoplasma gondii	cathepsin CPC2	0.0065	0.0317	0.0837
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0334	0.0233
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0065	0.0317	0.0837
Echinococcus multilocularis	protein patched	0.0045	0.0156	0.0053
Brugia malayi	cathepsin L-like cysteine proteinase	0.0065	0.0317	0.0403
Echinococcus granulosus	survival motor neuron protein 1	0.0251	0.1793	0.1707
Onchocerca volvulus		0.0051	0.0207	0.1318
Entamoeba histolytica	cysteine protease, putative	0.0065	0.0317	0.2023
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0307	0.039
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.0065	0.0317	0.0837
Brugia malayi	TAR-binding protein	0.0067	0.0334	0.0424
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0223	0.1569	0.5735
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0223	0.1569	1
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.0334	0.0424
Schistosoma mansoni	survival motor neuron protein	0.0051	0.0207	0.0104
Leishmania major	cathepsin L-like protease	0.0223	0.1569	0.5901
Onchocerca volvulus		0.0038	0.0104	0.0661
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0253	0.1809	0.2191
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0159	0.1061	0.3749
Trypanosoma cruzi	cysteine protease, putative	0.0129	0.0825	0.0927
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0104	0.0596
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0104	0.0131
Onchocerca volvulus	Cathepsin L homolog	0.0223	0.1569	1
Echinococcus granulosus	cathepsin b	0.1019	0.7886	0.7863
Brugia malayi	beta-lactamase family protein	0.0038	0.0104	0.0131
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.0104	1
Schistosoma mansoni	hypothetical protein	0.0043	0.0143	0.004
Brugia malayi	Papain family cysteine protease containing protein	0.0065	0.0317	0.0403
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	0.2316	0.8661
Plasmodium vivax	vivapain-3	0.0129	0.0825	0.4922
Plasmodium vivax	unspecified product	0.0064	0.0307	0.1391
Trypanosoma cruzi	major cysteine proteinase, putative	0.0065	0.0317	0.0275
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0223	0.1569	0.5735
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0104	0.0596
Onchocerca volvulus		0.0038	0.0104	0.0661
Entamoeba histolytica	cysteine protease, putative	0.0223	0.1569	1
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0065	0.0317	0.1459
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	0.2316	0.8661
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0223	0.1569	0.5735
Brugia malayi	fibroinase precursor	0.0065	0.0317	0.0403
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.0104	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0129	0.0825	0.0927
Echinococcus granulosus	Niemann Pick C1 protein	0.0105	0.063	0.0532
Echinococcus multilocularis	expressed conserved protein	0.0098	0.058	0.0481
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.0065	0.0317	0.0837
Echinococcus granulosus	Protein patched homolog 1	0.0045	0.0156	0.0053
Leishmania major	cysteine peptidase A (CPA)	0.0223	0.1569	0.5901
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.036	0.2658	1
Loa Loa (eye worm)	hypothetical protein	0.0105	0.063	0.0799
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0223	0.1569	0.5735
Brugia malayi	CHE-14 protein	0.0045	0.0156	0.0198
Mycobacterium ulcerans	beta-lactamase	0.0038	0.0104	1
Loa Loa (eye worm)	RNA binding protein	0.0067	0.0334	0.0424
Brugia malayi	Muscleblind-like protein	0.0159	0.1059	0.1343
Entamoeba histolytica	cysteine proteinase, putative	0.0129	0.0825	0.5257
Leishmania major	cathepsin L-like protease	0.0223	0.1569	0.5901
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0104	0.0596
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	0.2316	0.8661
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0065	0.0317	0.0216
Mycobacterium ulcerans	lipase LipD	0.0038	0.0104	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0065	0.0317	0.0216
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0065	0.0317	0.1459
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.0334	0.0424
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0156	0.0206
Trypanosoma cruzi	cysteine peptidase, putative	0.0317	0.2316	0.2843
Brugia malayi	Cathepsin L-like precursor	0.0159	0.1061	0.1346
Trypanosoma cruzi	cysteine peptidase, putative	0.0129	0.0825	0.0927
Entamoeba histolytica	cysteine protease, putative	0.0129	0.0825	0.5257
Entamoeba histolytica	cysteine protease, putative	0.0065	0.0317	0.2023
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	0.2316	0.8661
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0156	0.0198
Trypanosoma cruzi	cysteine proteinase, putative	0.0129	0.0825	0.0927
Onchocerca volvulus		0.0223	0.1569	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0064	0.0307	0.039
Echinococcus granulosus	cathepsin l1	0.0223	0.1569	0.148
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0065	0.0317	0.0403
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0223	0.1569	0.148
Entamoeba histolytica	cysteine proteinase 1, putative	0.0129	0.0825	0.5257
Schistosoma mansoni	hypothetical protein	0.0043	0.0143	0.004
Onchocerca volvulus		0.0223	0.1569	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0045	0.0156	0.0053
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0065	0.0317	0.2023
Brugia malayi	Cathepsin L-like precursor	0.0223	0.1569	0.1989
Leishmania major	hypothetical protein, conserved	0.0038	0.0104	0.039
Echinococcus multilocularis	survival motor neuron protein 1	0.0251	0.1793	0.1707
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0129	0.0825	0.2823
Echinococcus multilocularis	cathepsin L cysteine protease	0.0223	0.1569	0.148
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0129	0.0825	0.0729
Leishmania major	cathepsin L-like protease	0.0317	0.2316	0.8713
Brugia malayi	hypothetical protein	0.0251	0.1793	0.2274
Entamoeba histolytica	cysteine protease, putative	0.0065	0.0317	0.2023
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	0.2316	0.8661
Echinococcus multilocularis	cathepsin L cysteine protease	0.0223	0.1569	0.148
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0236	0.03
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0129	0.0825	0.2823
Echinococcus multilocularis	cysteine protease	0.0223	0.1569	0.148
Onchocerca volvulus		0.0223	0.1569	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.036	0.2658	1
Schistosoma mansoni	hypothetical protein	0.0043	0.0143	0.004
Onchocerca volvulus		0.0159	0.1061	0.6766
Brugia malayi	cathepsin L precursor	0.0065	0.0317	0.0403
Echinococcus multilocularis	cathepsin b	0.1019	0.7886	0.7863
Schistosoma mansoni	hypothetical protein	0.0043	0.0143	0.004
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1019	0.7886	0.7863
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0317	0.0837
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0065	0.0317	0.0837
Schistosoma mansoni	cathepsin F (C01 family)	0.0159	0.1061	0.0968
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0105	0.063	0.4016
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.036	0.2658	0.2581
Brugia malayi	RNA binding protein	0.0067	0.0334	0.0424
Giardia lamblia	Cathepsin B precursor	0.036	0.2658	1
Onchocerca volvulus	Cathepsin L homolog	0.0065	0.0317	0.2023
Onchocerca volvulus	Cathepsin F homolog	0.0223	0.1569	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.0104	0.0596
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0223	0.1569	0.5735
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0065	0.0317	0.1459
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0317	0.0837
Leishmania major	cathepsin L-like protease	0.0223	0.1569	0.5901
Loa Loa (eye worm)	fibroinase	0.0223	0.1569	0.1989
Entamoeba histolytica	cysteine protease, putative	0.0129	0.0825	0.5257
Mycobacterium ulcerans	hypothetical protein	0.0038	0.0104	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0244	0.1739	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0317	0.0403
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0223	0.1569	0.148
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	0.2316	0.8661
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0065	0.0317	0.0216
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	0.2316	0.8661
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1019	0.7886	0.7863
Entamoeba histolytica	hypothetical protein	0.0065	0.0317	0.2023
Giardia lamblia	Cathepsin B precursor	0.036	0.2658	1
Entamoeba histolytica	cysteine protease, putative	0.0129	0.0825	0.5257
Brugia malayi	cathepsin L-like precursor	0.0159	0.1061	0.1346
Plasmodium vivax	vivapain-2	0.0223	0.1569	1
Trichomonas vaginalis	conserved hypothetical protein	0.0065	0.0317	0.0837
Brugia malayi	Cathepsin L-like precursor	0.0223	0.1569	0.1989
Schistosoma mansoni	cathepsin B (C01 family)	0.0065	0.0317	0.0216
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0065	0.0317	0.0403
Entamoeba histolytica	cysteine protease, putative	0.0129	0.0825	0.5257
Leishmania major	cathepsin L-like protease	0.0223	0.1569	0.5901
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0159	0.1061	0.3749
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0065	0.0317	0.0837
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0223	0.1569	0.5735
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0065	0.0317	0.0837
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.0307	0.0262
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0223	0.1569	0.148
Brugia malayi	Papain family cysteine protease containing protein	0.0065	0.0317	0.0403
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0317	0.0403
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0129	0.0825	0.0729
Onchocerca volvulus	Cathepsin L homolog	0.0223	0.1569	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0104	0.0131
Trypanosoma cruzi	cruzipain precursor, putative	0.0064	0.0307	0.0262
Plasmodium vivax	serine-repeat antigen (SERA)	0.0065	0.0317	0.1459
Entamoeba histolytica	cysteine protease, putative	0.0129	0.0825	0.5257
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0223	0.1569	0.5735
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1019	0.7886	0.7863
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.036	0.2658	0.3283
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0065	0.0317	0.0837
Schistosoma mansoni	cathepsin F (C01 family)	0.0223	0.1569	0.148
Schistosoma mansoni	cathepsin S (C01 family)	0.0065	0.0317	0.0216
Echinococcus granulosus	cysteine protease	0.0129	0.0825	0.0729
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0065	0.0317	0.0403
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0223	0.1569	0.5735
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0104	0.0131
Loa Loa (eye worm)	cysteine protease	0.0223	0.1569	0.1989
Echinococcus granulosus	cathepsin b	0.1019	0.7886	0.7863
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0064	0.0307	0.039
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0223	0.1569	0.5735
Echinococcus multilocularis	cysteine protease	0.0223	0.1569	0.148
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0104	0.0131
Entamoeba histolytica	cysteine protease, putative	0.0129	0.0825	0.5257
Leishmania major	cathepsin L-like protease	0.0317	0.2316	0.8713
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0317	0.0403
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0104	0.0596
Onchocerca volvulus		0.0223	0.1569	1
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0104	0.0131
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0223	0.1569	0.5735
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0065	0.0317	0.0216
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0223	0.1569	0.5735
Entamoeba histolytica	cysteine protease, putative	0.0129	0.0825	0.5257
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0223	0.1569	0.5735
Brugia malayi	Papain family cysteine protease containing protein	0.0065	0.0317	0.0403
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0065	0.0317	0.1459
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1059	0.1343
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0223	0.1569	0.1989
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0051	0.0207	0.0262
Giardia lamblia	Cathepsin B precursor	0.036	0.2658	1
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.0334	0.0424
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0065	0.0317	0.0837
Echinococcus granulosus	cathepsin L	0.0129	0.0825	0.0729
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0104	0.0131
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0065	0.0317	0.1459
Loa Loa (eye worm)	ctsf protein	0.0223	0.1569	0.1989
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1019	0.7886	1
Entamoeba histolytica	cysteine protease, putative	0.0129	0.0825	0.5257
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0317	0.0403
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0065	0.0317	0.0216
Brugia malayi	Niemann-Pick C1 protein precursor	0.0105	0.063	0.0799
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0104	0.0596
Entamoeba histolytica	cysteine proteinase, putative	0.0129	0.0825	0.5257
Schistosoma mansoni	patched 1	0.0045	0.0156	0.0053
Trypanosoma cruzi	major cysteine proteinase, putative	0.0159	0.1065	0.1235
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1019	0.7886	0.7863
Leishmania major	cathepsin L-like protease	0.0223	0.1569	0.5901
Trichomonas vaginalis	conserved hypothetical protein	0.0065	0.0317	0.0837
Entamoeba histolytica	cysteine protease, putative	0.0129	0.0825	0.5257
Onchocerca volvulus		0.0038	0.0104	0.0661
Echinococcus multilocularis	protein dispatched 1	0.0051	0.0207	0.0104
Plasmodium vivax	vivapain-2	0.0223	0.1569	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0159	0.1061	0.1346
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0129	0.0825	0.4054
Echinococcus multilocularis	cathepsin b	0.1019	0.7886	0.7863
Plasmodium vivax	unspecified product	0.0129	0.0825	0.4922
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.0065	0.0317	0.0837
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0317	0.0403
Brugia malayi	Cathepsin L-like precursor	0.0223	0.1569	0.1989
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0064	0.0307	0.039
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0104	0.0596
Plasmodium vivax	serine-repeat antigen (SERA)	0.0065	0.0317	0.1459
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1061	0.1346
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0223	0.1569	0.5735
Toxoplasma gondii	cathepsin B	0.036	0.2658	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0334	0.0233
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0065	0.0317	0.0216
Brugia malayi	Cathepsin L-like precursor	0.0223	0.1569	0.1989
Trypanosoma cruzi	cysteine peptidase, putative	0.0317	0.2316	0.2843
Echinococcus multilocularis	cathepsin L	0.0065	0.0317	0.0216
Brugia malayi	Papain family cysteine protease containing protein	0.0129	0.0825	0.1046
Echinococcus multilocularis	muscleblind protein	0.0159	0.1059	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1061	0.1346
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0065	0.0317	0.0216
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0223	0.1569	0.5735
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0861	0.6634	0.6599
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	0.2316	0.8661
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0223	0.1569	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0223	0.1569	0.5735
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0104	0.0596
Trypanosoma cruzi	cysteine peptidase, putative	0.0223	0.1569	0.1883
Trypanosoma cruzi	cysteine proteinase, putative	0.0129	0.0825	0.0927
Entamoeba histolytica	cysteine proteinase, putative	0.0129	0.0825	0.5257
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0317	0.0837
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0317	0.0403
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0065	0.0317	0.2023
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	0.2316	0.8661
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0065	0.0317	0.1459
Echinococcus multilocularis	Niemann Pick C1 protein	0.0105	0.063	0.0532
Leishmania major	cathepsin L-like protease	0.0317	0.2316	0.8713
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0223	0.1569	0.1989
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0334	0.0233
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0223	0.1569	0.5735
Onchocerca volvulus		0.0065	0.0317	0.2023
Entamoeba histolytica	cysteine protease, putative	0.0065	0.0317	0.2023
Loa Loa (eye worm)	hypothetical protein	0.0223	0.1569	0.1989
Brugia malayi	Cathepsin L-like precursor	0.0223	0.1569	0.1989
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0223	0.1569	0.5735
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0223	0.1569	0.5735
Brugia malayi	Papain family cysteine protease containing protein	0.0223	0.1569	0.1989
Loa Loa (eye worm)	hypothetical protein	0.0251	0.1793	0.2274
Onchocerca volvulus		0.0223	0.1569	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0065	0.0317	0.0216
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0065	0.0317	0.1459
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0223	0.1569	0.5735
Brugia malayi	Cathepsin L-like precursor	0.0064	0.0307	0.039
Onchocerca volvulus		0.0223	0.1569	1
Onchocerca volvulus		0.0223	0.1569	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0065	0.0317	0.0837
Echinococcus granulosus	cathepsin L	0.0065	0.0317	0.0216
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0065	0.0317	0.0403
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0317	0.2316	0.8661
Echinococcus multilocularis	cathepsin L	0.0129	0.0825	0.0729
Entamoeba histolytica	cysteine protease, putative	0.0065	0.0317	0.2023
Schistosoma mansoni	hypothetical protein	0.0051	0.0207	0.0104
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0104	0.0596
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0307	0.039
Schistosoma mansoni	cathepsin F (C01 family)	0.0223	0.1569	0.148
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0065	0.0317	0.1459
Trypanosoma cruzi	cruzipain precursor, putative	0.0317	0.2316	0.2843
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0045	0.0156	0.0198
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0334	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0104	0.0131
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0223	0.1569	0.5735
Toxoplasma gondii	cathepsin CPL	0.0223	0.1569	0.5735
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0065	0.0317	0.0403
Entamoeba histolytica	cysteine protease, putative	0.0129	0.0825	0.5257
Echinococcus granulosus	Niemann Pick C1 protein	0.0149	0.0986	0.0892
Echinococcus granulosus	expressed conserved protein	0.0098	0.058	0.0481
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.036	0.2658	1
Echinococcus granulosus	muscleblind protein	0.0159	0.1059	0.0966
Echinococcus granulosus	cathepsin l1	0.0159	0.1061	0.0968
Echinococcus multilocularis	Niemann Pick C1 protein	0.0149	0.0986	0.0892
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0317	0.0837
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0065	0.0317	0.0837
Schistosoma mansoni	cathepsin C	0.0065	0.0317	0.0216
Entamoeba histolytica	cysteine protease, putative	0.0129	0.0825	0.5257
Entamoeba histolytica	cysteine protease, putative	0.0129	0.0825	0.5257
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.0104	1
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1061	0.1346
Toxoplasma gondii	cathepsin CPC1	0.0065	0.0317	0.0837
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.0065	0.0317	0.0837
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0223	0.1569	0.5735
Echinococcus multilocularis	microtubule associated protein 2	0.1285	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0223	0.1569	0.5735
Schistosoma mansoni	microtubule-associated protein tau	0.1285	1	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0104	0.0596
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0307	0.039
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0065	0.0317	0.1459
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0129	0.0825	0.2823
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0129	0.0825	0.0729

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 8 nM	Antagonist activity at CRTh2 receptor in human eosinophil assessed as inhibition of PGD2-induced cell shape change	ChEMBL.	25437504
IC50 (functional)	= 43 nM	Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding at 1 to 5 uM preincubated for 1 hr followed by 50 nM PGD2 and 0.1 nM [35S]-GTPgammaS addition measured after 2 hrs by liquid scintillation counting analysis relative to control	ChEMBL.	25437504
T1/2 (functional)	= 1.1 hr	Binding affinity to CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as dissociation half life at 10 X IC50 preincubated for 1 hr followed [35S]-GTPgammaS addition measured after 2 hrs by liquid scintillation counting analysis	ChEMBL.	25437504

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: CHEMBL3338147

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 932671