TDR Targets

Basic information

Technical information

TDR Targets ID: 219924
Name: 3-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy ]hexyl]-1,3-thiazol-3-ium; 4-methylbenzenesul fonate
MW: 682.029 | Formula: C37H63NO6S2
H donors: 0 H acceptors: 3 LogP: 11.79 Rotable bonds: 26
Rule of 5 violations (Lipinski): 2
SMILES: Cc1ccc(cc1)S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCC1OCC(O1)COCCCCCC[n+]1cscc1
InChi: 1S/C30H56NO3S.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-33-27-29(34-30)26-32-24-20-17-16-19-22-31-23-25-35-28-31;1-6-2-4-7(5-3-6)11(8,9)10/h23,25,28-30H,2-22,24,26-27H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChiKey: UXXXPGMTQBWKHT-UHFFFAOYSA-M

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

3-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]thiazol-3-ium; 4-methylbenzenesulfonate
3-[6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexyl]thiazol-3-ium tosylate

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Cavia porcellus	Platelet activating factor 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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	opsin-like receptor	Platelet activating factor receptor	342 aa	318 aa	21.7 %
Echinococcus granulosus	rhodopsin orphan GPCR	Platelet activating factor receptor	342 aa	278 aa	16.5 %
Schistosoma mansoni	neuropeptide F-like receptor	Platelet activating factor receptor	342 aa	325 aa	22.2 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Platelet activating factor receptor	342 aa	283 aa	20.5 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	327 aa	21.7 %
Echinococcus granulosus	tachykinin peptides receptor 99D	Platelet activating factor receptor	342 aa	314 aa	21.3 %
Echinococcus granulosus	allatostatin A receptor	Platelet activating factor receptor	342 aa	334 aa	22.8 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	300 aa	21.0 %
Echinococcus multilocularis	g-protein coupled receptor	Platelet activating factor receptor	342 aa	351 aa	22.5 %
Echinococcus granulosus	g-protein coupled receptor	Platelet activating factor receptor	342 aa	352 aa	22.2 %
Echinococcus granulosus	neuropeptide receptor	Platelet activating factor receptor	342 aa	304 aa	23.4 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	295 aa	21.7 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Platelet activating factor receptor	342 aa	344 aa	25.6 %
Schistosoma mansoni	neuropeptide receptor	Platelet activating factor receptor	342 aa	292 aa	20.5 %
Echinococcus multilocularis	rhodopsin orphan GPCR	Platelet activating factor receptor	342 aa	278 aa	16.5 %
Schistosoma mansoni	neuropeptide receptor	Platelet activating factor receptor	342 aa	338 aa	24.9 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	394 aa	20.3 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	320 aa	24.7 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	342 aa	19.6 %
Echinococcus multilocularis	allatostatin A receptor	Platelet activating factor receptor	342 aa	334 aa	23.4 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Platelet activating factor receptor	342 aa	340 aa	23.8 %
Echinococcus multilocularis	neuropeptide receptor	Platelet activating factor receptor	342 aa	303 aa	23.1 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	319 aa	21.6 %
Onchocerca volvulus	Cyclin-dependent kinase 20 homolog	Platelet activating factor receptor	342 aa	383 aa	23.8 %
Loa Loa (eye worm)	hypothetical protein	Platelet activating factor receptor	342 aa	355 aa	22.5 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	321 aa	19.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2218	1
Brugia malayi	cathepsin L-like precursor	0.0074	0.1319	0.1515
Plasmodium vivax	unspecified product	0.0058	0.0899	0.4054
Echinococcus granulosus	cysteine protease	0.0058	0.0899	0.0899
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2218	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0058	0.0899	0.2216
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0049	0.0667	0.0667
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0049	0.0667	0.0667
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.2218	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0049	0.0667	0.0667
Giardia lamblia	Cathepsin B precursor	0.0071	0.1255	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0108	0.2218	0.2218
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2218	1
Echinococcus multilocularis	calcium dependent protein kinase	0.0048	0.0641	0.0641
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.2218	1
Entamoeba histolytica	cysteine protease, putative	0.0058	0.0899	0.4054
Loa Loa (eye worm)	fibroinase	0.0108	0.2218	0.2547
Trypanosoma cruzi	cysteine proteinase, putative	0.0058	0.0899	0.2216
Entamoeba histolytica	cysteine protease, putative	0.0058	0.0899	0.4054
Leishmania major	cathepsin L-like protease	0.0108	0.2218	1
Leishmania major	cathepsin L-like protease	0.0108	0.2218	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0108	0.2218	0.2218
Brugia malayi	Cathepsin L-like precursor	0.0108	0.2218	0.2547
Schistosoma mansoni	cathepsin F (C01 family)	0.0108	0.2218	0.2218
Plasmodium vivax	unspecified product	0.0034	0.0272	0.1225
Schistosoma mansoni	protein kinase	0.0402	1	1
Schistosoma mansoni	protein kinase	0.0402	1	1
Echinococcus granulosus	cathepsin L	0.0058	0.0899	0.0899
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0049	0.0667	0.3007
Leishmania major	cathepsin L-like protease	0.0108	0.2218	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2218	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0034	0.0272	0.0312
Entamoeba histolytica	cysteine protease, putative	0.0058	0.0899	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1319	0.1515
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0049	0.0667	0.3007
Echinococcus granulosus	cathepsin b	0.0177	0.4057	0.4057
Trypanosoma cruzi	cysteine peptidase, putative	0.0108	0.2218	0.5467
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0108	0.2218	0.2218
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0058	0.0899	0.0899
Entamoeba histolytica	cysteine protease, putative	0.0058	0.0899	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2218	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0071	0.1255	0.1255
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0108	0.2218	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2218	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2218	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0058	0.0899	0.0899
Entamoeba histolytica	protein kinase, putative	0.0049	0.0667	0.3007
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1319	0.1515
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.0899	0.1498
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase subunit type II alpha	0.0353	0.8706	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.0899	0.4054
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0402	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0108	0.2218	1
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0049	0.0667	0.3007
Entamoeba histolytica	cysteine proteinase 1, putative	0.0058	0.0899	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0058	0.0899	0.4054
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0049	0.0667	0.0667
Entamoeba histolytica	cysteine protease, putative	0.0058	0.0899	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0074	0.1319	0.1515
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0108	0.2218	0.2547
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0667	0.0766
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2218	1
Brugia malayi	Cam kinase protein 1	0.0049	0.0667	0.0766
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0071	0.1255	0.5658
Toxoplasma gondii	cathepsin B	0.0071	0.1255	0.5658
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0049	0.0667	0.3007
Entamoeba histolytica	cysteine proteinase, putative	0.0058	0.0899	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0074	0.1319	0.5946
Entamoeba histolytica	cysteine proteinase, putative	0.0108	0.2218	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.2218	1
Onchocerca volvulus		0.0108	0.2218	1
Plasmodium vivax	vivapain-2	0.0108	0.2218	1
Onchocerca volvulus	Cathepsin L homolog	0.0108	0.2218	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2218	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0108	0.2218	0.2218
Echinococcus granulosus	cathepsin b	0.0177	0.4057	0.4057
Trypanosoma cruzi	cysteine peptidase, putative	0.0108	0.2218	0.5467
Brugia malayi	Cathepsin L-like precursor	0.0108	0.2218	0.2547
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0074	0.1319	0.1515
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1319	0.1515
Brugia malayi	Cathepsin L-like precursor	0.0108	0.2218	0.2547
Loa Loa (eye worm)	cysteine protease	0.0108	0.2218	0.2547
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2218	1
Plasmodium vivax	vivapain-2	0.0108	0.2218	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0074	0.1319	0.325
Onchocerca volvulus		0.0108	0.2218	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0108	0.2218	0.2547
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0049	0.0667	0.0766
Echinococcus granulosus	calcium dependent protein kinase	0.0048	0.0641	0.0641
Trichomonas vaginalis	CAMK family protein kinase	0.0049	0.0667	0.3007
Onchocerca volvulus	Cathepsin F homolog	0.0108	0.2218	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2218	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2218	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0049	0.0667	0.3007
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0108	0.2218	1
Entamoeba histolytica	cysteine protease, putative	0.0058	0.0899	0.4054
Echinococcus multilocularis	cysteine protease	0.0108	0.2218	0.2218
Onchocerca volvulus		0.0108	0.2218	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.2218	1
Brugia malayi	Papain family cysteine protease containing protein	0.0108	0.2218	0.2547
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0049	0.0667	0.0766
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0272	0.0312
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2218	1
Brugia malayi	Cathepsin L-like precursor	0.0108	0.2218	0.2547
Onchocerca volvulus	Cathepsin L homolog	0.0108	0.2218	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0071	0.1255	0.3791
Entamoeba histolytica	cysteine protease, putative	0.0058	0.0899	0.4054
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0049	0.0667	0.3007
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.2218	1
Leishmania major	cathepsin L-like protease	0.0108	0.2218	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.2218	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2218	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0177	0.4057	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0034	0.0272	0.067
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0049	0.0667	0.3007
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.2218	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.0899	0.4054
Onchocerca volvulus		0.0074	0.1319	0.5946
Leishmania major	cathepsin L-like protease	0.0108	0.2218	1
Entamoeba histolytica	cysteine protease, putative	0.0058	0.0899	0.4054
Entamoeba histolytica	protein kinase, putative	0.0049	0.0667	0.3007
Onchocerca volvulus		0.0108	0.2218	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2218	1
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0353	0.8706	1
Leishmania major	cathepsin L-like protease	0.0108	0.2218	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0108	0.2218	0.5467
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2218	1
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0049	0.0667	0.3007
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0272	0.0312
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0108	0.2218	1
Trypanosoma cruzi	cysteine protease, putative	0.0058	0.0899	0.2216
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2218	0.2547
Schistosoma mansoni	serine/threonine protein kinase	0.0049	0.0667	0.0667
Entamoeba histolytica	cysteine proteinase, putative	0.0058	0.0899	0.4054
Echinococcus multilocularis	cathepsin b	0.0177	0.4057	0.4057
Entamoeba histolytica	cysteine proteinase, putative	0.0108	0.2218	1
Loa Loa (eye worm)	cathepsin B	0.0071	0.1255	0.1441
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0058	0.0899	0.0899
Echinococcus granulosus	cathepsin L cysteine protease	0.0058	0.0899	0.0899
Echinococcus multilocularis	cysteine protease	0.0108	0.2218	0.2218
Echinococcus granulosus	cathepsin l1	0.0108	0.2218	0.2218
Echinococcus multilocularis	cathepsin L cysteine protease	0.0108	0.2218	0.2218
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0074	0.1319	0.5946
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0049	0.0667	0.3007
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0177	0.4057	0.4057
Echinococcus multilocularis	cathepsin L cysteine protease	0.0108	0.2218	0.2218
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0049	0.0667	0.0667
Entamoeba histolytica	cysteine protease, putative	0.0058	0.0899	0.4054
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0058	0.0899	0.2216
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.2218	1
Entamoeba histolytica	cysteine proteinase 2	0.0058	0.0899	0.4054
Schistosoma mansoni	protein kinase	0.0402	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0058	0.0899	0.1498
Echinococcus multilocularis	cathepsin b	0.0177	0.4057	0.4057
Leishmania major	cathepsin L-like protease	0.0108	0.2218	1
Plasmodium vivax	vivapain-1	0.0058	0.0899	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0034	0.0272	0.0312
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0034	0.0272	0.0312
Brugia malayi	cathepsin B-like cysteine proteinase	0.0177	0.4057	0.466
Brugia malayi	Papain family cysteine protease containing protein	0.0058	0.0899	0.1033
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0108	0.2218	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2218	1
Giardia lamblia	Cathepsin B precursor	0.0071	0.1255	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2218	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2218	1
Echinococcus granulosus	cathepsin l1	0.0074	0.1319	0.1319
Trypanosoma cruzi	cysteine proteinase, putative	0.0058	0.0899	0.2216
Trypanosoma cruzi	cysteine peptidase, putative	0.0108	0.2218	0.5467
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0177	0.4057	0.4057
Schistosoma mansoni	cathepsin F (C01 family)	0.0074	0.1319	0.1319
Toxoplasma gondii	cathepsin CPL	0.0108	0.2218	1
Giardia lamblia	Cathepsin B precursor	0.0071	0.1255	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0272	0.0312
Trypanosoma cruzi	cruzipain precursor, putative	0.0108	0.2218	0.5467
Trypanosoma cruzi	cruzipain precursor, putative	0.0034	0.0272	0.067
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2218	1
Loa Loa (eye worm)	ctsf protein	0.0108	0.2218	0.2547
Leishmania major	cathepsin L-like protease	0.0108	0.2218	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0108	0.2218	1
Entamoeba histolytica	cysteine protease, putative	0.0058	0.0899	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0108	0.2218	0.2547
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2218	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0058	0.0899	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0177	0.4057	0.4057
Plasmodium vivax	vivapain-3	0.0058	0.0899	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2218	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0108	0.2218	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0108	0.2218	0.2218
Brugia malayi	cathepsin F-like cysteine proteinase	0.0034	0.0272	0.0312
Leishmania major	cysteine peptidase A (CPA)	0.0108	0.2218	1
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0049	0.0667	0.0766
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0049	0.0667	0.3007
Entamoeba histolytica	cysteine proteinase, putative	0.0058	0.0899	0.4054
Onchocerca volvulus		0.0108	0.2218	1
Loa Loa (eye worm)	hypothetical protein	0.0177	0.4057	0.466
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0049	0.0667	0.3007
Entamoeba histolytica	cysteine protease, putative	0.0058	0.0899	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0074	0.1319	0.1515
Brugia malayi	Papain family cysteine protease containing protein	0.0058	0.0899	0.1033
Entamoeba histolytica	cysteine proteinase, putative	0.0058	0.0899	0.4054
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0049	0.0667	0.0667
Entamoeba histolytica	cysteine protease, putative	0.0108	0.2218	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2218	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0074	0.1319	0.5946
Schistosoma mansoni	cathepsin s	0.0034	0.0272	0.0272
Onchocerca volvulus		0.0108	0.2218	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0071	0.1255	0.3791
Brugia malayi	Cathepsin L-like precursor	0.0108	0.2218	0.2547
Echinococcus multilocularis	cathepsin L	0.0058	0.0899	0.0899
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0071	0.1255	0.3093
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0177	0.4057	0.4057
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0049	0.0667	0.3007
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0108	0.2218	1
Entamoeba histolytica	cysteine protease, putative	0.0058	0.0899	0.4054
Onchocerca volvulus		0.0108	0.2218	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 1.4 uM	Inhibitory activity expressed as the concentration required to inhibit platelet-activating factor (PAF) induced maximum aggregation by 50%	ChEMBL.	1992139
IC50 (functional)	= 1.4 uM	Inhibitory activity expressed as the concentration required to inhibit platelet-activating factor (PAF) induced maximum aggregation by 50%	ChEMBL.	1992139
ID50 (functional)	= 1.3 mg kg-1	Activity expressed as the dose required to reduce the lowering of the arterial blood pressure caused by PAF by 50%	ChEMBL.	1992139
ID50 (functional)	= 1.3 mg kg-1	Activity expressed as the dose required to reduce the lowering of the arterial blood pressure caused by PAF by 50%	ChEMBL.	1992139

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: CHEMBL126524
PubChem: 14785909

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 219924