TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 444.446 | Formula: C24H23F3N2O3
H donors: 1 H acceptors: 3 LogP: 4.12 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCN(C(=O)C1CC1)Cc1cc(ccc1n1cc(c2c1cccc2)CC(=O)O)C(F)(F)F
InChi: 1S/C24H23F3N2O3/c1-2-28(23(32)15-7-8-15)13-17-11-18(24(25,26)27)9-10-20(17)29-14-16(12-22(30)31)19-5-3-4-6-21(19)29/h3-6,9-11,14-15H,2,7-8,12-13H2,1H3,(H,30,31)
InChiKey: HSRJPBZJRGMBHB-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	0.0135	0.1019	0.1791
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0228	0.1791	0.5141
Echinococcus multilocularis	cysteine protease	0.0228	0.1791	0.1791
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0228	0.1791	0.4419
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0018	0.0054	0.0054
Onchocerca volvulus		0.0228	0.1791	1
Echinococcus granulosus	cathepsin L	0.0135	0.1019	0.1019
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0228	0.1791	0.4419
Entamoeba histolytica	cysteine protease, putative	0.0135	0.1019	0.2393
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0135	0.1019	0.1019
Entamoeba histolytica	cysteine protease, putative	0.0135	0.1019	0.2393
Brugia malayi	Papain family cysteine protease containing protein	0.0135	0.1019	0.1019
Echinococcus granulosus	cathepsin l1	0.0228	0.1791	0.1791
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0018	0.0054	0.0054
Loa Loa (eye worm)	fibroinase	0.0228	0.1791	0.1791
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0492	0.0492
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0228	0.1791	0.5141
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0492	0.0492
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0164	0.1266	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0071	0.0492	0.0492
Plasmodium falciparum	serine repeat antigen 6	0.0071	0.0492	0.2518
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0337	0.2693	0.7485
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0426	0.3432	0.3432
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0228	0.1791	0.5141
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0071	0.0492	0.2518
Entamoeba histolytica	cysteine protease, putative	0.0135	0.1019	0.2393
Trypanosoma cruzi	cruzipain precursor, putative	0.0228	0.1791	0.1746
Onchocerca volvulus	Cathepsin L homolog	0.0228	0.1791	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0337	0.2693	0.7485
Brugia malayi	isocitrate dehydrogenase	0.0018	0.0054	0.0054
Brugia malayi	Papain family cysteine protease containing protein	0.0228	0.1791	0.1791
Loa Loa (eye worm)	cysteine protease	0.0228	0.1791	0.1791
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0426	0.3432	1
Brugia malayi	Cathepsin L-like precursor	0.0228	0.1791	0.1791
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1218	1	1
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0071	0.0492	0.2518
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0164	0.1266	0.5
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1218	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0135	0.1019	0.2854
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0071	0.0492	0.0492
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0071	0.0492	0.0492
Brugia malayi	Papain family cysteine protease containing protein	0.0071	0.0492	0.0492
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0228	0.1791	0.4419
Loa Loa (eye worm)	cathepsin B	0.0426	0.3432	0.3432
Onchocerca volvulus	Cathepsin L homolog	0.0071	0.0492	0.2745
Echinococcus multilocularis	cathepsin L cysteine protease	0.0228	0.1791	0.1791
Brugia malayi	fibroinase precursor	0.0071	0.0492	0.0492
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0228	0.1791	0.4419
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0071	0.0492	0.0492
Trypanosoma cruzi	cysteine protease, putative	0.0135	0.1019	0.0969
Schistosoma mansoni	cathepsin s	0.0064	0.043	0.043
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0228	0.1791	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0228	0.1791	0.4419
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0337	0.2693	0.7485
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0071	0.0492	0.2518
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0337	0.2693	0.7485
Plasmodium vivax	unspecified product	0.0071	0.0492	0.2518
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0492	0.0492
Echinococcus multilocularis	cysteine protease	0.0228	0.1791	0.1791
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0337	0.2693	0.7485
Entamoeba histolytica	cysteine proteinase, putative	0.0164	0.1264	0.351
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0071	0.0492	0.0492
Onchocerca volvulus		0.0228	0.1791	1
Entamoeba histolytica	cysteine protease, putative	0.0135	0.1019	0.2393
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0054	0.0054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0228	0.1791	0.4419
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0071	0.0492	0.2518
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0492	0.0492
Entamoeba histolytica	cysteine proteinase, putative	0.0228	0.1791	0.5903
Brugia malayi	cathepsin L precursor	0.0071	0.0492	0.0492
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0228	0.1791	0.4419
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0228	0.1791	0.1791
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0228	0.1791	0.4419
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0164	0.1264	0.1217
Brugia malayi	cathepsin L-like cysteine proteinase	0.0071	0.0492	0.0492
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0071	0.0492	0.2518
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0492	0.0492
Trypanosoma cruzi	cruzipain precursor, putative	0.0064	0.043	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0064	0.043	0.043
Giardia lamblia	Fructose-bisphosphate aldolase	0.0337	0.2693	0.7485
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0071	0.0492	0.2518
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0135	0.1019	0.1791
Leishmania major	cathepsin L-like protease	0.0228	0.1791	0.5141
Echinococcus granulosus	cathepsin b	0.1218	1	1
Toxoplasma gondii	cathepsin B	0.0426	0.3432	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0071	0.0492	0.044
Plasmodium vivax	unspecified product	0.0064	0.043	0.2165
Entamoeba histolytica	cysteine protease, putative	0.0135	0.1019	0.2393
Trypanosoma cruzi	cysteine peptidase, putative	0.0228	0.1791	0.1746
Echinococcus multilocularis	isocitrate dehydrogenase	0.0018	0.0054	0.0054
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0071	0.0492	0.2518
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0337	0.2693	0.7485
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0228	0.1791	1
Schistosoma mansoni	microtubule-associated protein tau	0.0795	0.6489	0.6489
Loa Loa (eye worm)	hypothetical protein	0.0228	0.1791	0.1791
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0228	0.1791	0.4419
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0228	0.1791	0.4419
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0228	0.1791	0.5141
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0228	0.1791	0.4419
Plasmodium falciparum	serine repeat antigen 1	0.0071	0.0492	0.2518
Entamoeba histolytica	cysteine protease, putative	0.0135	0.1019	0.2393
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0164	0.1264	0.1264
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0135	0.1019	0.5551
Loa Loa (eye worm)	hypothetical protein	0.0064	0.043	0.043
Entamoeba histolytica	cysteine proteinase, putative	0.0135	0.1019	0.2393
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0071	0.0492	0.0492
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0135	0.1019	0.0969
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0135	0.1019	0.2854
Leishmania major	cathepsin L-like protease	0.0228	0.1791	0.5141
Entamoeba histolytica	cysteine protease, putative	0.0135	0.1019	0.2393
Echinococcus granulosus	microtubule associated protein 2	0.0795	0.6489	0.6489
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0164	0.1266	1
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0071	0.0492	0.0492
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0164	0.1264	0.2627
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0228	0.1791	0.5141
Trypanosoma cruzi	cysteine peptidase, putative	0.0228	0.1791	0.1746
Entamoeba histolytica	cysteine proteinase, putative	0.0135	0.1019	0.2393
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0071	0.0492	0.0492
Brugia malayi	Cathepsin L-like precursor	0.0164	0.1264	0.1264
Brugia malayi	MH2 domain containing protein	0.0137	0.1043	0.1043
Giardia lamblia	Cathepsin B precursor	0.0426	0.3432	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0228	0.1791	0.1746
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0337	0.2693	0.7485
Brugia malayi	cathepsin F-like cysteine proteinase	0.0071	0.0492	0.0492
Schistosoma mansoni	cathepsin F (C01 family)	0.0228	0.1791	0.1791
Leishmania major	cathepsin L-like protease	0.0228	0.1791	0.5141
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0071	0.0492	0.0492
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0228	0.1791	0.5141
Loa Loa (eye worm)	hypothetical protein	0.1218	1	1
Leishmania major	cathepsin L-like protease	0.0228	0.1791	0.5141
Plasmodium falciparum	serine repeat antigen 5	0.0071	0.0492	0.2518
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1218	1	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0071	0.0492	0.0492
Entamoeba histolytica	cysteine protease, putative	0.0135	0.1019	0.2393
Trypanosoma cruzi	cysteine peptidase, putative	0.0135	0.1019	0.0969
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0164	0.1264	0.2627
Echinococcus granulosus	cathepsin l1	0.0164	0.1264	0.1264
Echinococcus granulosus	cysteine protease	0.0135	0.1019	0.1019
Loa Loa (eye worm)	transcription factor SMAD2	0.0137	0.1043	0.1043
Toxoplasma gondii	cathepsin CPC2	0.0071	0.0492	0.1295
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0064	0.043	0.043
Onchocerca volvulus		0.0164	0.1264	0.7059
Trypanosoma cruzi	cysteine proteinase, putative	0.0135	0.1019	0.0969
Entamoeba histolytica	cysteine protease, putative	0.0135	0.1019	0.2393
Onchocerca volvulus	Cathepsin L homolog	0.0228	0.1791	1
Schistosoma mansoni	cathepsin C	0.0071	0.0492	0.0492
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0071	0.0492	0.2518
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0018	0.0054	0.0054
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0228	0.1791	0.1791
Brugia malayi	Cathepsin L-like precursor	0.0228	0.1791	0.1791
Brugia malayi	cathepsin F-like cysteine proteinase	0.0064	0.043	0.043
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0071	0.0492	0.0492
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0228	0.1791	0.1791
Loa Loa (eye worm)	hypothetical protein	0.0164	0.1264	0.1264
Entamoeba histolytica	cysteine protease, putative	0.0135	0.1019	0.2393
Plasmodium falciparum	serine repeat antigen 3	0.0071	0.0492	0.2518
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0337	0.2693	0.7485
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0426	0.3432	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0228	0.1791	0.4419
Schistosoma mansoni	cathepsin F (C01 family)	0.0228	0.1791	0.1791
Entamoeba histolytica	cysteine protease, putative	0.0228	0.1791	0.5903
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0228	0.1791	0.5141
Schistosoma mansoni	cathepsin S (C01 family)	0.0071	0.0492	0.0492
Leishmania major	cathepsin L-like protease	0.0228	0.1791	0.5141
Schistosoma mansoni	cathepsin B (C01 family)	0.0071	0.0492	0.0492
Brugia malayi	Papain family cysteine protease containing protein	0.0071	0.0492	0.0492
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0228	0.1791	0.1791
Entamoeba histolytica	cysteine proteinase, putative	0.0228	0.1791	0.5903
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0054	0.0054
Echinococcus granulosus	cathepsin L cysteine protease	0.0135	0.1019	0.1019
Treponema pallidum	fructose-bisphosphate aldolase	0.0337	0.2693	0.5
Brugia malayi	Isocitrate dehydrogenase	0.0018	0.0054	0.0054
Echinococcus multilocularis	cathepsin L	0.0071	0.0492	0.0492
Brugia malayi	Papain family cysteine protease containing protein	0.0071	0.0492	0.0492
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0228	0.1791	0.4419
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0228	0.1791	0.4419
Loa Loa (eye worm)	hypothetical protein	0.0064	0.043	0.043
Entamoeba histolytica	cysteine proteinase, putative	0.0135	0.1019	0.2393
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0228	0.1791	0.1791
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0228	0.1791	0.4419
Onchocerca volvulus	Cathepsin F homolog	0.0228	0.1791	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0492	0.0492
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0228	0.1791	0.5141
Echinococcus multilocularis	cathepsin L cysteine protease	0.0228	0.1791	0.1791
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0228	0.1791	0.4419
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0018	0.0054	0.0054
Plasmodium falciparum	serine repeat antigen 2	0.0071	0.0492	0.2518
Brugia malayi	Cathepsin L-like precursor	0.0228	0.1791	0.1791
Onchocerca volvulus		0.0228	0.1791	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0228	0.1791	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0228	0.1791	0.5141
Toxoplasma gondii	cathepsin CPC1	0.0071	0.0492	0.1295
Leishmania major	cathepsin L-like protease	0.0228	0.1791	0.5141
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0228	0.1791	0.4419
Plasmodium vivax	unspecified product	0.0135	0.1019	0.5551
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0228	0.1791	0.4419
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.043	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0164	0.1264	0.1264
Plasmodium falciparum	serine repeat antigen 8	0.0071	0.0492	0.2518
Entamoeba histolytica	cysteine protease, putative	0.0135	0.1019	0.2393
Plasmodium vivax	serine-repeat antigen (SERA)	0.0071	0.0492	0.2518
Plasmodium falciparum	serine repeat antigen 7	0.0071	0.0492	0.2518
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0426	0.3432	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0228	0.1791	0.4419
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0228	0.1791	0.5141
Brugia malayi	Cathepsin L-like precursor	0.0228	0.1791	0.1791
Echinococcus multilocularis	cathepsin b	0.1218	1	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0337	0.2693	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0137	0.1043	0.1043
Onchocerca volvulus		0.0228	0.1791	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0071	0.0492	0.044
Entamoeba histolytica	cysteine proteinase, putative	0.0135	0.1019	0.2393
Brugia malayi	cathepsin L-like precursor	0.0164	0.1264	0.1264
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0228	0.1791	0.4419
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0135	0.1019	0.1019
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0071	0.0492	0.2518
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1218	1	1
Leishmania major	cathepsin L-like protease	0.0228	0.1791	0.5141
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0071	0.0492	0.0492
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0426	0.3432	0.3397
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0228	0.1791	0.4419
Schistosoma mansoni	cathepsin F (C01 family)	0.0164	0.1264	0.1264
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0071	0.0492	0.2518
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0228	0.1791	0.4419
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0071	0.0492	0.1295
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0135	0.1019	0.1019
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0071	0.0492	0.2518
Entamoeba histolytica	cysteine proteinase 2	0.0135	0.1019	0.2393
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0071	0.0492	0.0492
Echinococcus multilocularis	cathepsin b	0.1218	1	1
Entamoeba histolytica	cysteine protease, putative	0.0135	0.1019	0.2393
Onchocerca volvulus		0.0228	0.1791	1
Loa Loa (eye worm)	hypothetical protein	0.0164	0.1264	0.1264
Echinococcus granulosus	cathepsin b	0.1218	1	1
Entamoeba histolytica	cysteine protease, putative	0.0135	0.1019	0.2393
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0228	0.1791	0.4419
Brugia malayi	Cathepsin L-like precursor	0.0228	0.1791	0.1791
Echinococcus multilocularis	cathepsin L	0.0135	0.1019	0.1019
Giardia lamblia	Cathepsin B precursor	0.0426	0.3432	1
Plasmodium falciparum	serine repeat antigen 9	0.0071	0.0492	0.2518
Trypanosoma cruzi	cysteine peptidase, putative	0.0228	0.1791	0.1746
Entamoeba histolytica	cysteine proteinase 1, putative	0.0135	0.1019	0.2393
Plasmodium vivax	serine-repeat antigen (SERA)	0.0071	0.0492	0.2518
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0228	0.1791	0.4419
Plasmodium vivax	vivapain-2	0.0228	0.1791	1
Onchocerca volvulus		0.0228	0.1791	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0064	0.043	0.043
Trypanosoma cruzi	cysteine proteinase, putative	0.0135	0.1019	0.0969
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0071	0.0492	0.2518
Leishmania major	cysteine peptidase A (CPA)	0.0228	0.1791	0.5141
Brugia malayi	Cathepsin L-like precursor	0.0228	0.1791	0.1791
Plasmodium falciparum	serine repeat antigen 4	0.0071	0.0492	0.2518
Toxoplasma gondii	cathepsin CPL	0.0228	0.1791	0.5141
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0337	0.2693	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0054	0.0054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1218	1	1
Echinococcus multilocularis	microtubule associated protein 2	0.0795	0.6489	0.6489
Onchocerca volvulus		0.0228	0.1791	1
Brugia malayi	Papain family cysteine protease containing protein	0.0135	0.1019	0.1019
Leishmania major	cathepsin L-like protease	0.0228	0.1791	0.5141
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0071	0.0492	0.2518
Giardia lamblia	Cathepsin B precursor	0.0426	0.3432	1
Plasmodium vivax	vivapain-2	0.0228	0.1791	1
Brugia malayi	Cathepsin L-like precursor	0.0064	0.043	0.043
Plasmodium vivax	vivapain-1	0.0135	0.1019	0.5551
Brugia malayi	Cathepsin L-like precursor	0.0164	0.1264	0.1264
Loa Loa (eye worm)	ctsf protein	0.0228	0.1791	0.1791
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0228	0.1791	0.5141
Onchocerca volvulus		0.0071	0.0492	0.2745
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0228	0.1791	0.1791
Plasmodium vivax	vivapain-3	0.0135	0.1019	0.5551
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0071	0.0492	0.0492
Echinococcus granulosus	cathepsin L	0.0071	0.0492	0.0492
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0228	0.1791	0.4419
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0071	0.0492	0.0492

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 37 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
IC50 (functional)	= 37 nM	Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding measured after 2 hrs by liquid scintillation counting analysis	ChEMBL.	25437505
IC50 (binding)	= 84 nM	Antagonist activity at CRTh2 receptor in human eosinophil assessed as inhibition of PGD2-induced cell shape change	ChEMBL.	25437504
IC50 (binding)	= 84 nM	Antagonist activity at CRTh2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change preincubated for 10 mins with PGD2 addition measured after 4 mins by forward scatter and side scatter analysis	ChEMBL.	25437505
T1/2 (functional)	= 2.5 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
T1/2 (functional)	= 2.5 hr	Binding affinity to CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as dissociation half life at 10 times IC50 concentration preincubated for 1 hr with 0.1 nM to 100 uM PGD2 and [35S]-GTPgammaS by liquid scintillation counting analysis	ChEMBL.	25437505

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.

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External resources for this compound

ChEMBL: CHEMBL3338148

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 932672