TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 594.57 | Formula: C30H41Cl2N3O5
H donors: 3 H acceptors: 5 LogP: 6.89 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: O=C(N[C@@H](C(=O)O)CC1CCCCC1)CCC(C(=O)N1CCC2(CC1)CCCC2)NC(=O)c1cc(Cl)cc(c1)Cl
InChi: 1S/C30H41Cl2N3O5/c31-22-17-21(18-23(32)19-22)27(37)34-24(28(38)35-14-12-30(13-15-35)10-4-5-11-30)8-9-26(36)33-25(29(39)40)16-20-6-2-1-3-7-20/h17-20,24-25H,1-16H2,(H,33,36)(H,34,37)(H,39,40)/t24?,25-/m1/s1
InChiKey: FDMPIKHUGAJHCL-WUBHUQEYSA-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	cholecystokinin B receptor	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
Schistosoma mansoni	calpain (C02 family)	0.0088	0.0451	0.0451
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0325	0.3137	1
Brugia malayi	cathepsin L-like precursor	0.0125	0.0871	0.0871
Loa Loa (eye worm)	hypothetical protein	0.093	1	1
Entamoeba histolytica	cysteine protease, putative	0.0103	0.0615	0.4054
Trypanosoma cruzi	kinesin, putative	0.0062	0.015	0.015
Onchocerca volvulus		0.0174	0.1422	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0054	0.0064	0.0064
Entamoeba histolytica	cysteine proteinase 1, putative	0.0103	0.0615	0.4054
Trypanosoma brucei	calpain-like protein, putative	0.0088	0.0451	0.1008
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0088	0.0451	0.1008
Onchocerca volvulus		0.0174	0.1422	1
Leishmania major	cathepsin L-like protease	0.0174	0.1422	0.4259
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.0615	0.1556
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0325	0.3137	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0174	0.1422	0.4259
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0174	0.1422	0.4419
Brugia malayi	fibroinase precursor	0.0054	0.0064	0.0064
Plasmodium vivax	serine-repeat antigen (SERA)	0.0054	0.0064	0.0451
Brugia malayi	Papain family cysteine protease containing protein	0.0174	0.1422	0.1422
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0225	0.2007	0.5
Brugia malayi	calpain 5	0.0062	0.015	0.015
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0174	0.1422	0.4259
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0125	0.0871	0.2627
Entamoeba histolytica	cysteine proteinase, putative	0.0103	0.0615	0.4054
Onchocerca volvulus		0.0174	0.1422	1
Loa Loa (eye worm)	fibroinase	0.0174	0.1422	0.1422
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0103	0.0615	0.1791
Loa Loa (eye worm)	hypothetical protein	0.0207	0.1803	0.1803
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0871	0.0871
Schistosoma mansoni	cathepsin F (C01 family)	0.0174	0.1422	0.1422
Brugia malayi	cathepsin L precursor	0.0054	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0064	0.0064
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0174	0.1422	0.4259
Leishmania major	cathepsin L-like protease	0.0174	0.1422	0.4259
Plasmodium vivax	vivapain-2	0.0174	0.1422	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0325	0.3137	0.3137
Schistosoma mansoni	calpain C (C02 family)	0.0088	0.0451	0.0451
Schistosoma mansoni	cathepsin S (C01 family)	0.0054	0.0064	0.0064
Echinococcus multilocularis	cathepsin b	0.093	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0174	0.1422	0.4419
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0088	0.0451	0.0451
Toxoplasma gondii	cathepsin CPL	0.0174	0.1422	0.4419
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0174	0.1422	0.4259
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0871	0.0871
Entamoeba histolytica	cysteine proteinase 2	0.0103	0.0615	0.4054
Trypanosoma cruzi	kinesin, putative	0.0062	0.015	0.015
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0174	0.1422	0.4259
Plasmodium vivax	vivapain-3	0.0103	0.0615	0.4322
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0054	0.0064	0.0064
Trypanosoma cruzi	cysteine peptidase, putative	0.0174	0.1422	0.1422
Onchocerca volvulus	Cathepsin F homolog	0.0174	0.1422	1
Brugia malayi	Cathepsin L-like precursor	0.0174	0.1422	0.1422
Leishmania major	cathepsin L-like protease	0.0174	0.1422	0.4259
Echinococcus granulosus	cathepsin L	0.0103	0.0615	0.0554
Echinococcus granulosus	cathepsin l1	0.0125	0.0871	0.0813
Brugia malayi	cathepsin F-like cysteine proteinase	0.0054	0.0064	0.0064
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0054	0.0064	0.0451
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0054	0.0064	0.0451
Loa Loa (eye worm)	cysteine protease	0.0174	0.1422	0.1422
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0054	0.0064	0.0451
Plasmodium vivax	unspecified product	0.0103	0.0615	0.4322
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0174	0.1422	0.4419
Onchocerca volvulus		0.0174	0.1422	1
Entamoeba histolytica	cysteine protease, putative	0.0103	0.0615	0.4054
Echinococcus granulosus	cathepsin b	0.093	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0004	0.0004
Echinococcus granulosus	calpain	0.0088	0.0451	0.0389
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0103	0.0615	0.1791
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0174	0.1422	0.4259
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0174	0.1422	0.4419
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0088	0.0451	0.1008
Loa Loa (eye worm)	calpain family protein 1	0.0234	0.2104	0.2104
Schistosoma mansoni	calpain-7 (C02 family)	0.0088	0.0451	0.0451
Brugia malayi	Papain family cysteine protease containing protein	0.0054	0.0064	0.0064
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0174	0.1422	0.1367
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0103	0.0615	0.0615
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0103	0.0615	0.0615
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0088	0.0451	0.0451
Echinococcus multilocularis	calpain family protein 1, d	0.0172	0.1404	0.1348
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0054	0.0064	0.0064
Schistosoma mansoni	cathepsin B (C01 family)	0.0054	0.0064	0.0064
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0054	0.0064	0.0064
Brugia malayi	calpain 7	0.0088	0.0451	0.0451
Entamoeba histolytica	cysteine protease, putative	0.0103	0.0615	0.4054
Plasmodium vivax	unspecified product	0.0054	0.0064	0.0451
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0054	0.0064	0.0064
Schistosoma mansoni	cathepsin C	0.0054	0.0064	0.0064
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0174	0.1422	0.4419
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0103	0.0615	0.0615
Trypanosoma cruzi	major cysteine proteinase, putative	0.0054	0.0064	0.0064
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.093	1	1
Echinococcus granulosus	calpain A	0.0088	0.0451	0.0389
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0174	0.1422	0.4419
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0174	0.1422	1
Echinococcus multilocularis	calpain 5	0.0088	0.0451	0.0389
Brugia malayi	Papain family cysteine protease containing protein	0.0054	0.0064	0.0064
Echinococcus granulosus	calpain 7 C02 family	0.0088	0.0451	0.0389
Brugia malayi	Papain family cysteine protease containing protein	0.0103	0.0615	0.0615
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0174	0.1422	0.4419
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0174	0.1422	0.4419
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0174	0.1422	1
Echinococcus multilocularis	cathepsin L	0.0103	0.0615	0.0554
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0103	0.0615	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0125	0.0871	0.0871
Giardia lamblia	Cathepsin B precursor	0.0325	0.3137	1
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0054	0.0064	0.0451
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0234	0.2104	0.2104
Trypanosoma brucei	antigen, putative	0.0088	0.0451	0.1008
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0088	0.0451	0.0451
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0088	0.0451	0.0451
Entamoeba histolytica	calpain large subunit domain III containing protein	0.0062	0.015	0.0632
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0174	0.1422	0.1367
Echinococcus multilocularis	calpain A	0.0245	0.2224	0.2174
Entamoeba histolytica	cysteine proteinase, putative	0.0125	0.0871	0.5946
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0245	0.2224	0.2224
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0054	0.0064	0.0064
Giardia lamblia	Cathepsin B precursor	0.0325	0.3137	1
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0054	0.0064	0.0451
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0174	0.1422	0.4259
Brugia malayi	cathepsin L-like cysteine proteinase	0.0054	0.0064	0.0064
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0174	0.1422	0.4419
Plasmodium vivax	vivapain-2	0.0174	0.1422	1
Leishmania major	cysteine peptidase A (CPA)	0.0174	0.1422	0.4259
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.093	1	1
Leishmania major	cathepsin L-like protease	0.0174	0.1422	0.4259
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0174	0.1422	0.4419
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0174	0.1422	0.4419
Brugia malayi	Papain family cysteine protease containing protein	0.0054	0.0064	0.0064
Loa Loa (eye worm)	ctsf protein	0.0174	0.1422	0.1422
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0795	0.8466	0.8456
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0174	0.1422	0.1422
Plasmodium vivax	vivapain-1	0.0103	0.0615	0.4322
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0234	0.2104	0.2104
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0054	0.0064	0.0064
Echinococcus granulosus	cathepsin b	0.093	1	1
Schistosoma mansoni	calpain-7 (C02 family)	0.0088	0.0451	0.0451
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0088	0.0451	0.0451
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.093	1	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0088	0.0451	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0064	0.0064
Trypanosoma cruzi	cysteine peptidase, putative	0.0174	0.1422	0.1422
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0088	0.0451	0.0451
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0174	0.1422	0.4419
Onchocerca volvulus		0.0146	0.1103	0.7649
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0054	0.0064	0.0064
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0054	0.0064	0.0451
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0054	0.0064	0.0451
Echinococcus granulosus	cysteine protease	0.0103	0.0615	0.0554
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0054	0.0064	0.0451
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.093	1	1
Entamoeba histolytica	cysteine protease, putative	0.0103	0.0615	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0174	0.1422	0.4419
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0054	0.0064	0.0064
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0054	0.0064	0.0064
Trypanosoma cruzi	cruzipain precursor, putative	0.0174	0.1422	0.1422
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0004	0.0004
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0174	0.1422	0.1422
Echinococcus granulosus	calpain A	0.0245	0.2224	0.2174
Entamoeba histolytica	cysteine proteinase, putative	0.0103	0.0615	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0174	0.1422	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0174	0.1422	0.4419
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0245	0.2224	0.2224
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0088	0.0451	0.0451
Entamoeba histolytica	cysteine protease, putative	0.0174	0.1422	1
Entamoeba histolytica	cysteine protease, putative	0.0103	0.0615	0.4054
Entamoeba histolytica	protein kinase, putative	0.0062	0.015	0.0632
Echinococcus multilocularis	cathepsin b	0.093	1	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0054	0.0064	0.0064
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0054	0.0064	0.0064
Onchocerca volvulus		0.0174	0.1422	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0054	0.0064	0.0064
Entamoeba histolytica	cysteine protease, putative	0.0103	0.0615	0.4054
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0088	0.0451	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0064	0.0064
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0174	0.1422	0.4259
Plasmodium vivax	serine-repeat antigen (SERA)	0.0054	0.0064	0.0451
Echinococcus multilocularis	cysteine protease	0.0174	0.1422	0.1367
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0054	0.0064	0.0064
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0174	0.1422	0.1422
Echinococcus granulosus	cathepsin l1	0.0174	0.1422	0.1367
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0174	0.1422	0.4259
Trypanosoma cruzi	cysteine proteinase, putative	0.0103	0.0615	0.0615
Schistosoma mansoni	cathepsin F (C01 family)	0.0125	0.0871	0.0871
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0088	0.0451	0.0451
Onchocerca volvulus		0.0174	0.1422	1
Trypanosoma brucei	calpain-like protein, putative	0.0088	0.0451	0.1008
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0174	0.1422	0.4259
Entamoeba histolytica	cysteine protease, putative	0.0103	0.0615	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0325	0.3137	0.3137
Onchocerca volvulus	Cathepsin L homolog	0.0174	0.1422	1
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1103	0.1103
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0064	0.0064
Trypanosoma cruzi	cysteine protease, putative	0.0103	0.0615	0.0615
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0174	0.1422	0.4419
Brugia malayi	Cathepsin L-like precursor	0.0174	0.1422	0.1422
Entamoeba histolytica	cysteine proteinase, putative	0.0103	0.0615	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0174	0.1422	0.4419
Leishmania major	cathepsin L-like protease	0.0174	0.1422	0.4259
Onchocerca volvulus	Cathepsin L homolog	0.0174	0.1422	1
Leishmania major	cathepsin L-like protease	0.0174	0.1422	0.4259
Trypanosoma cruzi	cysteine peptidase, putative	0.0174	0.1422	0.1422
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0054	0.0064	0.0451
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0125	0.0871	0.2627
Schistosoma mansoni	cathepsin F (C01 family)	0.0174	0.1422	0.1422
Entamoeba histolytica	cysteine protease, putative	0.0103	0.0615	0.4054
Brugia malayi	calpain family protein 1	0.0234	0.2104	0.2104
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0174	0.1422	0.4259
Echinococcus multilocularis	cathepsin L cysteine protease	0.0174	0.1422	0.1367
Brugia malayi	Cathepsin L-like precursor	0.0174	0.1422	0.1422
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0103	0.0615	0.1556
Loa Loa (eye worm)	hypothetical protein	0.0172	0.1404	0.1404
Loa Loa (eye worm)	calpain 5	0.0062	0.015	0.015
Entamoeba histolytica	cysteine proteinase, putative	0.0174	0.1422	1
Brugia malayi	calpain family protein 1	0.0234	0.2104	0.2104
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0174	0.1422	0.4419
Onchocerca volvulus		0.0174	0.1422	1
Entamoeba histolytica	cysteine proteinase, putative	0.0174	0.1422	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0174	0.1422	0.1422
Entamoeba histolytica	cysteine protease, putative	0.0103	0.0615	0.4054
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.093	1	1
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0245	0.2224	0.2174
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0054	0.0064	0.0451
Trypanosoma cruzi	cysteine proteinase, putative	0.0103	0.0615	0.0615
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0088	0.0451	0.1008
Echinococcus multilocularis	cysteine protease	0.0174	0.1422	0.1367
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0174	0.1422	0.4419
Trypanosoma brucei	calpain-like protein, putative	0.0088	0.0451	0.1008
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0088	0.0451	0.1008
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0245	0.2224	0.2174
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0174	0.1422	0.4419
Leishmania major	cathepsin L-like protease	0.0174	0.1422	0.4259
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0325	0.3137	1
Brugia malayi	Cathepsin L-like precursor	0.0174	0.1422	0.1422
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0103	0.0615	0.0615
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0174	0.1422	0.4419
Echinococcus multilocularis	hypothetical protein	0.0088	0.0451	0.0389
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0871	0.0871
Loa Loa (eye worm)	cathepsin B	0.0325	0.3137	0.3137
Echinococcus granulosus	calpain 5	0.0088	0.0451	0.0389
Trypanosoma brucei	calpain-like protein, putative	0.0088	0.0451	0.1008
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.0088	0.0451	0.1008
Loa Loa (eye worm)	calpain	0.0088	0.0451	0.0451
Echinococcus granulosus	cathepsin L cysteine protease	0.0103	0.0615	0.0554
Entamoeba histolytica	cysteine protease, putative	0.0103	0.0615	0.4054
Giardia lamblia	Cathepsin B precursor	0.0325	0.3137	1
Plasmodium vivax	calpain, putative	0.0088	0.0451	0.3171
Toxoplasma gondii	cathepsin B	0.0325	0.3137	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0125	0.0871	0.0871
Brugia malayi	Cathepsin L-like precursor	0.0174	0.1422	0.1422
Echinococcus multilocularis	calpain	0.0088	0.0451	0.0389
Echinococcus multilocularis	cathepsin L cysteine protease	0.0174	0.1422	0.1367
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0004	0.0004
Brugia malayi	Papain family cysteine protease containing protein	0.0103	0.0615	0.0615
Brugia malayi	Cathepsin L-like precursor	0.0125	0.0871	0.0871
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0174	0.1422	0.4419
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0054	0.0064	0.0064
Entamoeba histolytica	cysteine protease, putative	0.0103	0.0615	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0174	0.1422	0.4419
Onchocerca volvulus		0.0125	0.0871	0.5946
Schistosoma mansoni	Mername-AA248 (C02 family)	0.0088	0.0451	0.0451
Leishmania major	cathepsin L-like protease	0.0174	0.1422	0.4259
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0174	0.1422	0.4419
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0174	0.1422	0.4419
Echinococcus multilocularis	calpain 7 (C02 family)	0.0088	0.0451	0.0389
Entamoeba histolytica	cysteine protease, putative	0.0103	0.0615	0.4054
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0174	0.1422	0.1367
Trypanosoma cruzi	cysteine peptidase, putative	0.0103	0.0615	0.0615
Entamoeba histolytica	cysteine proteinase, putative	0.0103	0.0615	0.4054
Loa Loa (eye worm)	calpain family protein 1	0.0172	0.1404	0.1404
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0125	0.0871	0.0871
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0004	0.0004
Entamoeba histolytica	cysteine protease, putative	0.0103	0.0615	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0174	0.1422	0.4419
Trypanosoma cruzi	major cysteine proteinase, putative	0.0054	0.0064	0.0064
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0174	0.1422	0.1367
Brugia malayi	Cathepsin L-like precursor	0.0174	0.1422	0.1422

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.000000142 M	In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells	ChEMBL.	8568800
IC50 (functional)	= 0.000000142 M	In vitro inhibition of gastrin-induced [Ca2+] cytosolic elevation in isolated rabbit parietal cells	ChEMBL.	8568800
IC50 (binding)	= 0.000000612 M	Inhibition of binding of [3H]-N-Me-N-Leu-CCK-8 to cholecystokinin type B receptor in guinea pig brain cortex	ChEMBL.	8568800
IC50 (binding)	= 0.000000612 M	Inhibition of binding of [3H]-N-Me-N-Leu-CCK-8 to cholecystokinin type B receptor in guinea pig brain cortex	ChEMBL.	8568800

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: CHEMBL31093

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 42207