TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 449.049 | Formula: C24H33ClN2O2S
H donors: 1 H acceptors: 2 LogP: 7.16 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCCN(CCC)CCCOc1ccc(cc1)/C=C/c1nc2c(s1)cccc2.Cl.O
InChi: 1S/C24H30N2OS.ClH.H2O/c1-3-16-26(17-4-2)18-7-19-27-21-13-10-20(11-14-21)12-15-24-25-22-8-5-6-9-23(22)28-24;;/h5-6,8-15H,3-4,7,16-19H2,1-2H3;1H;1H2/b15-12+;;
InChiKey: NVMPWESSIZBVSF-BXHFOUFMSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ATPase, H+/K+ exchanging, beta polypeptide	Starlite/ChEMBL	References
Homo sapiens	ATPase, H+/K+ exchanging, alpha polypeptide	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Giardia lamblia	Potassium-transporting ATPase alpha chain 1	Get druggable targets OG5_127003	All targets in OG5_127003
Schistosoma mansoni	Na+/K+ transporting ATPase subunit alpha	Get druggable targets OG5_127003	All targets in OG5_127003
Loa Loa (eye worm)	Na,K-ATPase alpha subunit	Get druggable targets OG5_127003	All targets in OG5_127003
Schistosoma japonicum	Sodium/potassium-transporting ATPase subunit alpha, putative	Get druggable targets OG5_127003	All targets in OG5_127003
Candida albicans	similar to Pichia farinosa Acu1p, putative P-type ATPase involved in high affinity uptake of potassium or sodium (CAF22247)	Get druggable targets OG5_127003	All targets in OG5_127003
Schistosoma japonicum	Sodium/potassium-transporting ATPase subunit alpha, putative	Get druggable targets OG5_127003	All targets in OG5_127003
Loa Loa (eye worm)	sodium/potassium-transporting ATPase subunit alpha	Get druggable targets OG5_127003	All targets in OG5_127003
Mycobacterium leprae	PROBABLE CATION-TRANSPORTER ATPASE I CTPI	Get druggable targets OG5_127003	All targets in OG5_127003
Schistosoma japonicum	Sodium/potassium-transporting ATPase subunit alpha, putative	Get druggable targets OG5_127003	All targets in OG5_127003
Schistosoma japonicum	Sodium/potassium-transporting ATPase subunit alpha, putative	Get druggable targets OG5_127003	All targets in OG5_127003
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127003	All targets in OG5_127003
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127003	All targets in OG5_127003
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127003	All targets in OG5_127003
Schistosoma japonicum	Sodium/potassium-transporting ATPase subunit alpha-1 precursor, putative	Get druggable targets OG5_127003	All targets in OG5_127003
Brugia malayi	Sodium/potassium-transporting ATPase alpha chain, putative	Get druggable targets OG5_127003	All targets in OG5_127003
Onchocerca volvulus		Get druggable targets OG5_127003	All targets in OG5_127003
Echinococcus granulosus	Na:K ATPase alpha subunit	Get druggable targets OG5_127003	All targets in OG5_127003
Candida albicans	similar to Pichia farinosa Acu1p, putative P-type ATPase involved in high affinity uptake of potassium or sodium (CAF22247)	Get druggable targets OG5_127003	All targets in OG5_127003
Mycobacterium ulcerans	metal cation transporter p-type ATPase a	Get druggable targets OG5_127003	All targets in OG5_127003
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127003	All targets in OG5_127003
Schistosoma mansoni	na+/k+ atpase alpha subunit	Get druggable targets OG5_127003	All targets in OG5_127003
Schistosoma japonicum	ko:K01538 Na+/K+-exchanging ATPase [EC3.6.3.9], putative	Get druggable targets OG5_127003	All targets in OG5_127003
Echinococcus multilocularis	Na+:K+ ATPase alpha subunit	Get druggable targets OG5_127003	All targets in OG5_127003
Brugia malayi	Na,K-ATPase alpha subunit	Get druggable targets OG5_127003	All targets in OG5_127003

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 2	ATPase, H+/K+ exchanging, alpha polypeptide	1035 aa	861 aa	26.8 %
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	ATPase, H+/K+ exchanging, beta polypeptide	291 aa	264 aa	28.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	kinesin, putative	0.0029	0.0089	0.0197
Loa Loa (eye worm)	calpain	0.0041	0.0173	0.0385
Echinococcus multilocularis	geranylgeranyl transferase type I beta subunit	0.0182	0.1142	0.2435
Loa Loa (eye worm)	Ras protein let-60	0.0458	0.304	0.6753
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0118	0.0702	0.1125
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.022	0.0359
Giardia lamblia	Rab geranylgeranyltransferase	0.0533	0.3554	0.7814
Brugia malayi	Cathepsin L-like precursor	0.0032	0.0111	0.0248
Entamoeba histolytica	protein farnesyltransferase beta subunit, putative	0.0671	0.4502	1
Plasmodium vivax	vivapain-1	0.0025	0.0061	0.0135
Echinococcus multilocularis	hypothetical protein	0.0041	0.0173	0.0254
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.022	0.0359
Schistosoma mansoni	protein farnesyltransferase subunit beta	0.0671	0.4502	0.4502
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.022	0.0359
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0118	0.0702	0.0702
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0032	0.0111	0.0248
Schistosoma mansoni	na+/k+ atpase alpha subunit	0.004	0.0163	0.0163
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0671	0.4502	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0118	0.0702	0.0702
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.0041	0.0173	0.0192
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0032	0.0111	0.0114
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0499	0.332	0.7338
Echinococcus multilocularis	calpain 7 (C02 family)	0.0041	0.0173	0.0254
Mycobacterium leprae	PROBABLE CATION-TRANSPORTER ATPASE I CTPI	0.0033	0.0116	0.5
Echinococcus granulosus	cathepsin l1	0.0032	0.0111	0.0114
Leishmania major	cathepsin L-like protease	0.0048	0.022	0.0298
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0077	0.042	0.0809
Toxoplasma gondii	aspartyl protease ASP3	0.0118	0.0702	0.1125
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0041	0.0173	0.0192
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0032	0.0111	0.0114
Onchocerca volvulus		0.0048	0.022	0.0609
Trypanosoma brucei	geranylgeranyl transferase type II beta subunit, putative	0.0182	0.1142	0.2435
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.022	0.0359
Echinococcus multilocularis	Rab geranylgeranyltransferase, beta subunit	0.0182	0.1142	0.2435
Mycobacterium tuberculosis	Halimadienyl diphosphate synthase	0.0643	0.4309	0.5
Entamoeba histolytica	Ras family GTPase	0.0458	0.304	0.6708
Trypanosoma brucei	lanosterol synthase	0.0643	0.4309	0.9566
Loa Loa (eye worm)	hypothetical protein	0.008	0.0442	0.0982
Brugia malayi	aspartic protease BmAsp-1, identical	0.0118	0.0702	0.1559
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.022	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0111	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0458	0.304	0.6753
Leishmania major	cathepsin L-like protease	0.0048	0.022	0.0298
Trypanosoma cruzi	cysteine protease, putative	0.0025	0.0061	0.0135
Plasmodium falciparum	geranylgeranyltransferase, putative	0.0182	0.1142	0.2435
Echinococcus granulosus	protein farnesyltransferase subunit beta	0.0671	0.4502	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0041	0.0173	0.0385
Trichomonas vaginalis	GTP-binding protein rit, putative	0.0458	0.304	0.6708
Plasmodium falciparum	plasmepsin IX	0.0118	0.0702	0.1444
Plasmodium falciparum	plasmepsin V	0.0118	0.0702	0.1444
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0533	0.3554	0.7865
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.022	0.0359
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.022	0.0359
Echinococcus multilocularis	protein prenyltransferase alpha subunit	0.0292	0.1897	0.4134
Entamoeba histolytica	cysteine proteinase, putative	0.0048	0.022	0.0359
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.022	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0533	0.3554	0.7894
Plasmodium vivax	vivapain-2	0.0048	0.022	0.0489
Loa Loa (eye worm)	cysteine protease	0.0048	0.022	0.0489
Plasmodium vivax	farnesyltransferase beta subunit, putative	0.0671	0.4502	1
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0118	0.0702	0.1559
Trypanosoma brucei	protein farnesyltransferase alpha subunit, putative	0.0292	0.1897	0.4134
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0292	0.1897	0.4213
Brugia malayi	hypothetical protein	0.0118	0.0702	0.1559
Trypanosoma cruzi	cysteine proteinase, putative	0.0025	0.0061	0.0135
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0114	0.0673	0.0673
Onchocerca volvulus		0.0048	0.022	0.0609
Brugia malayi	Papain family cysteine protease containing protein	0.0048	0.022	0.0489
Entamoeba histolytica	ras-1, putative	0.0458	0.304	0.6708
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0041	0.0173	0.0385
Trypanosoma brucei	kinesin, putative	0.0029	0.0089	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0077	0.042	0.0933
Onchocerca volvulus	Cathepsin F homolog	0.0048	0.022	0.0609
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0048	0.022	0.0359
Loa Loa (eye worm)	aspartyl protease 6	0.0118	0.0702	0.1559
Brugia malayi	Cathepsin L-like precursor	0.0048	0.022	0.0489
Entamoeba histolytica	protein farnesyltransferase alpha subunit, putative	0.0533	0.3554	0.7865
Onchocerca volvulus		0.0118	0.0702	0.3307
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0041	0.0173	0.0385
Plasmodium falciparum	plasmepsin VI	0.0499	0.332	0.7338
Brugia malayi	Cathepsin L-like precursor	0.0048	0.022	0.0489
Brugia malayi	Ras-related protein R-Ras2	0.0458	0.304	0.6753
Trypanosoma cruzi	cysteine peptidase, putative	0.0025	0.0061	0.0135
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0499	0.332	0.7338
Brugia malayi	Cathepsin L-like precursor	0.0048	0.022	0.0489
Plasmodium falciparum	plasmepsin VII	0.0118	0.0702	0.1444
Echinococcus granulosus	sodium:potassium transporting ATPase subunit	0.0077	0.042	0.0809
Plasmodium falciparum	plasmepsin III	0.0118	0.0702	0.1444
Plasmodium falciparum	geranylgeranyl transferase type-2 subunit alpha, putative	0.0292	0.1897	0.4134
Leishmania major	cathepsin L-like protease	0.0048	0.022	0.0298
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0499	0.332	0.7374
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0041	0.0173	0.0385
Plasmodium vivax	vivapain-2	0.0048	0.022	0.0489
Schistosoma mansoni	calpain-7 (C02 family)	0.0041	0.0173	0.0173
Plasmodium falciparum	geranylgeranyl transferase type2 beta subunit, putative	0.0182	0.1142	0.2435
Echinococcus granulosus	calpain	0.0041	0.0173	0.0254
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0077	0.042	0.042
Entamoeba histolytica	protein kinase, putative	0.0029	0.0089	0.0063
Trichomonas vaginalis	protein farnesyltransferase beta subunit, putative	0.0182	0.1142	0.2435
Leishmania major	cathepsin L-like protease	0.0048	0.022	0.0298
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0048	0.022	0.0359
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.022	0.0359
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0499	0.332	0.7338
Plasmodium vivax	protein prenyltransferase alpha subunit, putative	0.0292	0.1897	0.4213
Leishmania major	protein farnesyltransferase alpha subunit, putative	0.0292	0.1897	0.4096
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0041	0.0173	0.0385
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0118	0.0702	0.0702
Trypanosoma cruzi	lanosterol synthase, putative	0.0643	0.4309	0.9572
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0292	0.1897	0.4134
Trypanosoma cruzi	geranylgeranyl transferase type II beta subunit, putative	0.0182	0.1142	0.2537
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.022	0.0359
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0041	0.0173	0.0254
Brugia malayi	Probable protein farnesyltransferase beta subunit, putative	0.0182	0.1142	0.2537
Trypanosoma brucei	hypothetical protein, conserved	0.0292	0.1897	0.4134
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0533	0.3554	0.7865
Echinococcus multilocularis	geranylgeranyl transferase type 2 subunit alpha	0.0292	0.1897	0.4134
Onchocerca volvulus		0.0292	0.1897	1
Brugia malayi	cathepsin L-like precursor	0.0032	0.0111	0.0248
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0118	0.0702	0.0702
Schistosoma mansoni	cathepsin F (C01 family)	0.0048	0.022	0.022
Leishmania major	farnesyltransferase beta subunit	0.0671	0.4502	1
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0533	0.3554	0.7894
Brugia malayi	Sodium/potassium-transporting ATPase alpha chain, putative	0.0034	0.0126	0.0279
Plasmodium vivax	conserved Plasmodium protein, unknown function	0.0489	0.3251	0.7222
Echinococcus granulosus	cathepsin l1	0.0048	0.022	0.0359
Onchocerca volvulus		0.0077	0.042	0.173
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0114	0.0673	0.0673
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.022	0.0359
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0077	0.042	0.0809
Brugia malayi	Cathepsin L-like precursor	0.0048	0.022	0.0489
Plasmodium vivax	calpain, putative	0.0041	0.0173	0.0385
Giardia lamblia	Rab geranylgeranyltransferase	0.0182	0.1142	0.2256
Trypanosoma cruzi	hypothetical protein, conserved	0.0292	0.1897	0.4213
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0555	0.1232
Leishmania major	cathepsin L-like protease	0.0048	0.022	0.0298
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0032	0.0111	0.0248
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0041	0.0173	0.0385
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0118	0.0702	0.0702
Trypanosoma cruzi	cruzipain precursor, putative	0.0048	0.022	0.0489
Trypanosoma cruzi	hypothetical protein, conserved	0.0182	0.1142	0.2537
Schistosoma mansoni	calpain (C02 family)	0.0041	0.0173	0.0173
Echinococcus multilocularis	cathepsin L cysteine protease	0.0048	0.022	0.0359
Echinococcus multilocularis	cysteine protease	0.0048	0.022	0.0359
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0025	0.0061	0.0061
Echinococcus multilocularis	calpain 5	0.0041	0.0173	0.0254
Echinococcus granulosus	nervana 2	0.0077	0.042	0.0809
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0041	0.0173	0.0385
Brugia malayi	Pepsin A precursor	0.0118	0.0702	0.1559
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0077	0.042	0.042
Trichomonas vaginalis	geranylgeranyl transferase type beta subunit, putative	0.0671	0.4502	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0041	0.0173	0.0254
Plasmodium falciparum	plasmepsin VIII, putative	0.0118	0.0702	0.1444
Loa Loa (eye worm)	hypothetical protein	0.0048	0.022	0.0489
Trypanosoma brucei	antigen, putative	0.0041	0.0173	0.0254
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.022	0.0359
Schistosoma mansoni	sodium/potassium-dependent atpase beta subunit	0.0077	0.042	0.042
Mycobacterium ulcerans	metal cation transporter p-type ATPase a	0.0038	0.0154	0.5
Echinococcus multilocularis	nervana 2	0.0077	0.042	0.0809
Entamoeba histolytica	Rab geranylgeranyltransferase beta subunit, putative	0.0182	0.1142	0.2435
Brugia malayi	Cathepsin L-like precursor	0.0048	0.022	0.0489
Leishmania major	cathepsin L-like protease	0.0048	0.022	0.0298
Trypanosoma brucei	protein farnesyltransferase beta subunit	0.0671	0.4502	1
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0292	0.1897	0.4213
Loa Loa (eye worm)	hypothetical protein	0.004	0.0163	0.0362
Plasmodium vivax	prenyltransferase alpha subunit, putative	0.0533	0.3554	0.7894
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0025	0.0061	0.0135
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0114	0.0673	0.1379
Echinococcus granulosus	calpain A	0.0114	0.0673	0.1379
Echinococcus multilocularis	cysteine protease	0.0048	0.022	0.0359
Loa Loa (eye worm)	calpain family protein 1	0.0109	0.0639	0.142
Brugia malayi	calpain family protein 1	0.0109	0.0639	0.142
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.022	0.0359
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0118	0.0702	0.1559
Echinococcus granulosus	protein farnesyltransferase alpha subunit	0.0533	0.3554	0.7865
Trypanosoma cruzi	kinesin, putative	0.0029	0.0089	0.0197
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.0182	0.1142	0.2435
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0077	0.042	0.0809
Trypanosoma brucei	calpain-like protein, putative	0.0041	0.0173	0.0254
Toxoplasma gondii	aspartyl protease	0.0118	0.0702	0.1125
Loa Loa (eye worm)	Na,K-ATPase alpha subunit	0.004	0.0163	0.0362
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0118	0.0702	0.0702
Trichomonas vaginalis	ral, putative	0.0458	0.304	0.6708
Plasmodium falciparum	plasmepsin X	0.0118	0.0702	0.1444
Entamoeba histolytica	Ras family GTPase	0.0458	0.304	0.6708
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.0182	0.1142	0.2153
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0109	0.0639	0.0639
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0102	0.0227
Brugia malayi	calpain 7	0.0041	0.0173	0.0385
Leishmania major	cathepsin L-like protease	0.0048	0.022	0.0298
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.022	0.0359
Plasmodium vivax	aspartyl proteinase, putative	0.0118	0.0702	0.1559
Plasmodium vivax	vivapain-3	0.0025	0.0061	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0702	0.1559
Brugia malayi	Papain family cysteine protease containing protein	0.0025	0.0061	0.0135
Loa Loa (eye worm)	fibroinase	0.0048	0.022	0.0489
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0041	0.0173	0.0385
Onchocerca volvulus	Cathepsin L homolog	0.0048	0.022	0.0609
Leishmania major	cathepsin L-like protease	0.0048	0.022	0.0298
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0048	0.022	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0182	0.1142	0.2537
Trypanosoma cruzi	lanosterol synthase, putative	0.0643	0.4309	0.9572
Onchocerca volvulus		0.0118	0.0702	0.3307
Trypanosoma cruzi	cysteine peptidase, putative	0.0048	0.022	0.0489
Loa Loa (eye worm)	hypothetical protein	0.0182	0.1142	0.2537
Plasmodium falciparum	plasmepsin I	0.0499	0.332	0.7338
Loa Loa (eye worm)	calpain 5	0.0029	0.0089	0.0197
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.022	0.0359
Schistosoma mansoni	cathepsin D (A01 family)	0.147	1	1
Echinococcus multilocularis	calpain A	0.0114	0.0673	0.1379
Onchocerca volvulus		0.0048	0.022	0.0609
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0499	0.332	0.332
Schistosoma mansoni	memapsin-2 (A01 family)	0.0118	0.0702	0.0702
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0182	0.1142	0.1142
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0077	0.042	0.0809
Echinococcus multilocularis	sodium:potassium transporting ATPase subunit	0.0077	0.042	0.0809
Entamoeba histolytica	Rab geranylgeranyltransferase alpha subunit, putative	0.0292	0.1897	0.4134
Trypanosoma brucei	calpain-like protein, putative	0.0041	0.0173	0.0254
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0533	0.3554	0.7894
Plasmodium vivax	plasmepsin V, putative	0.0118	0.0702	0.1559
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0041	0.0173	0.0385
Trypanosoma cruzi	hypothetical protein, conserved	0.0292	0.1897	0.4213
Echinococcus granulosus	Na:K ATPase alpha subunit	0.004	0.0163	0.0231
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.022	0.0359
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0671	0.4502	1
Plasmodium falciparum	plasmepsin IV	0.0499	0.332	0.7338
Brugia malayi	Cathepsin L-like precursor	0.0048	0.022	0.0489
Trypanosoma cruzi	cysteine peptidase, putative	0.0048	0.022	0.0489
Schistosoma mansoni	Mername-AA248 (C02 family)	0.0041	0.0173	0.0173
Loa Loa (eye worm)	ctsf protein	0.0048	0.022	0.0489
Schistosoma mansoni	transmemberane protein	0.0077	0.042	0.042
Entamoeba histolytica	cysteine protease, putative	0.0048	0.022	0.0359
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0048	0.022	0.0359
Plasmodium vivax	geranylgeranyltransferase, putative	0.0182	0.1142	0.2537
Loa Loa (eye worm)	hypothetical protein	0.0077	0.042	0.0933
Plasmodium vivax	aspartyl protease, putative	0.0118	0.0702	0.1559
Schistosoma mansoni	cathepsin F (C01 family)	0.0032	0.0111	0.0111
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.022	0.0359
Brugia malayi	hypothetical protein	0.0118	0.0702	0.1559
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0241	0.1548	0.335
Echinococcus multilocularis	calpain	0.0041	0.0173	0.0254
Echinococcus multilocularis	cathepsin L cysteine protease	0.0048	0.022	0.0359
Onchocerca volvulus		0.0048	0.022	0.0609
Schistosoma mansoni	Na+/K+ transporting ATPase subunit alpha	0.004	0.0163	0.0163
Trypanosoma cruzi	cysteine peptidase, putative	0.0048	0.022	0.0489
Onchocerca volvulus	Cathepsin L homolog	0.0048	0.022	0.0609
Echinococcus multilocularis	nervana 2	0.0077	0.042	0.0809
Leishmania major	cysteine peptidase A (CPA)	0.0048	0.022	0.0298
Entamoeba histolytica	calpain large subunit domain III containing protein	0.0029	0.0089	0.0063
Echinococcus multilocularis	calpain family protein 1, d	0.008	0.0442	0.0859
Trichomonas vaginalis	dexras1, putative	0.0458	0.304	0.6708
Plasmodium falciparum	protein farnesyltransferase subunit beta	0.0671	0.4502	1
Brugia malayi	aspartic protease BmAsp-2, identical	0.0118	0.0702	0.1559
Echinococcus multilocularis	ras gtpase	0.0458	0.304	0.6708
Toxoplasma gondii	aspartyl protease ASP1	0.0499	0.332	0.7239
Giardia lamblia	Rab geranylgeranyltransferase	0.0292	0.1897	0.3995
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0048	0.022	0.0359
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0077	0.042	0.0809
Leishmania major	geranylgeranyltransferase, putative	0.0182	0.1142	0.2387
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0048	0.022	0.0359
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.022	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0639	0.142
Echinococcus granulosus	nervana 2	0.0077	0.042	0.0809
Brugia malayi	calpain 5	0.0029	0.0089	0.0197
Loa Loa (eye worm)	hypothetical protein	0.0025	0.006	0.0133
Trypanosoma cruzi	cysteine proteinase, putative	0.0025	0.0061	0.0135
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0118	0.0702	0.0702
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0533	0.3554	0.7865
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0182	0.1142	0.1142
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.0671	0.4502	1
Brugia malayi	Na,K-ATPase alpha subunit	0.004	0.0163	0.0362
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0077	0.042	0.0809
Trichomonas vaginalis	protein farnesyltransferase beta subunit, putative	0.0182	0.1142	0.2435
Echinococcus multilocularis	nervana 2	0.0077	0.042	0.0809
Schistosoma mansoni	calpain C (C02 family)	0.0041	0.0173	0.0173
Echinococcus granulosus	nervana 2	0.0077	0.042	0.0809
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.022	0.0359
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.022	0.0359
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.022	0.0359
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.022	0.0359
Plasmodium vivax	aspartyl proteinase, putative	0.0499	0.332	0.7374
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0292	0.1897	0.4213
Brugia malayi	calpain family protein 1	0.0109	0.0639	0.142
Trypanosoma cruzi	hypothetical protein, conserved	0.0182	0.1142	0.2537
Echinococcus multilocularis	nervana 2	0.0077	0.042	0.0809
Onchocerca volvulus		0.0068	0.0357	0.1377
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0292	0.1897	0.4213
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0671	0.4502	1
Giardia lamblia	Prenyltransferase	0.0671	0.4502	1
Echinococcus granulosus	protein prenyltransferase alpha subunit	0.0292	0.1897	0.4134
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.022	0.0359
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.0671	0.4502	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.022	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0111	0.0248
Echinococcus granulosus	nervana 2	0.0077	0.042	0.0809
Loa Loa (eye worm)	calpain family protein 1	0.008	0.0442	0.0982
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.022	0.0359
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0041	0.0173	0.0385
Onchocerca volvulus		0.0048	0.022	0.0609
Toxoplasma gondii	hypothetical protein	0.0292	0.1897	0.3915
Echinococcus granulosus	calpain A	0.0041	0.0173	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0111	0.0248
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.0671	0.4502	1
Echinococcus multilocularis	protein farnesyltransferase subunit beta	0.0671	0.4502	1
Plasmodium vivax	unspecified product	0.0025	0.0061	0.0135
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0499	0.332	0.7239
Onchocerca volvulus		0.0077	0.042	0.173
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0357	0.0793
Echinococcus granulosus	geranylgeranyl transferase type 2 subunit alpha	0.0292	0.1897	0.4134
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.022	0.0359
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0292	0.1897	0.4134
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.022	0.0359
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0048	0.022	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0073	0.0163
Loa Loa (eye worm)	sodium/potassium-transporting ATPase subunit alpha	0.0034	0.0126	0.0279
Trichomonas vaginalis	rap1 and, putative	0.0458	0.304	0.6708
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.022	0.0359
Echinococcus granulosus	calpain 7 C02 family	0.0041	0.0173	0.0254
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0114	0.0673	0.1379
Plasmodium vivax	geranylgeranyl transferase type2 beta subunit, putative	0.0182	0.1142	0.2537
Schistosoma mansoni	geranylgeranyl transferase type II beta subunit	0.0182	0.1142	0.1142
Plasmodium vivax	aspartyl protease, putative	0.0118	0.0702	0.1559
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.022	0.0359
Plasmodium vivax	plasmepsin IV, putative	0.0499	0.332	0.7374
Toxoplasma gondii	Rab geranylgeranyl transferase type II beta subunit, putative	0.0182	0.1142	0.2153
Plasmodium vivax	aspartyl protease, putative	0.0118	0.0702	0.1559
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0041	0.0173	0.0192
Trichomonas vaginalis	type I geranylgeranyltransferase beta subunit, putative	0.0671	0.4502	1
Leishmania major	lanosterol synthase, putative	0.0461	0.3059	0.6729
Brugia malayi	Ras protein let-60	0.0458	0.304	0.6753
Schistosoma mansoni	sodium / potassium ATPase beta chain	0.0077	0.042	0.042
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0025	0.0061	0.0061
Trypanosoma cruzi	cysteine peptidase, putative	0.0048	0.022	0.0489
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.0671	0.4502	1
Echinococcus granulosus	geranylgeranyl transferase type I beta subunit	0.0182	0.1142	0.2435
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.0182	0.1142	0.2537
Trichomonas vaginalis	ras-dva small GTPase, putative	0.0458	0.304	0.6708
Entamoeba histolytica	cysteine proteinase, putative	0.0048	0.022	0.0359
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.022	0.0359
Onchocerca volvulus		0.0048	0.022	0.0609
Trypanosoma cruzi	protein farnesyltransferase, putative	0.0671	0.4502	1
Echinococcus multilocularis	protein farnesyltransferase alpha subunit	0.0533	0.3554	0.7865
Onchocerca volvulus		0.0038	0.0154	0.0236
Brugia malayi	Cathepsin L-like precursor	0.0032	0.0111	0.0248
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.022	0.0359
Trypanosoma brucei	calpain-like protein, putative	0.0041	0.0173	0.0254
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0048	0.022	0.0359
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0048	0.022	0.0359
Schistosoma mansoni	protein farnesyltransferase alpha subunit	0.0533	0.3554	0.3554
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0025	0.0061	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0499	0.332	0.7374
Schistosoma mansoni	cathepsin F (C01 family)	0.0048	0.022	0.022
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.022	0.0359
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0292	0.1897	0.1897
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.022	0.0359
Schistosoma mansoni	calpain-7 (C02 family)	0.0041	0.0173	0.0173
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0048	0.022	0.0489
Onchocerca volvulus		0.0048	0.022	0.0609
Entamoeba histolytica	cysteine proteinase, putative	0.0032	0.0111	0.0114
Toxoplasma gondii	hypothetical protein	0.0241	0.1548	0.3102
Echinococcus multilocularis	Na+:K+ ATPase alpha subunit	0.004	0.0163	0.0231
Echinococcus granulosus	ras gtpase	0.0458	0.304	0.6708
Brugia malayi	Papain family cysteine protease containing protein	0.0025	0.0061	0.0135
Entamoeba histolytica	geranylgeranyl transferase beta subunit	0.0182	0.1142	0.2435
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.022	0.0359
Plasmodium falciparum	plasmepsin II	0.0499	0.332	0.7338
Echinococcus granulosus	calpain 5	0.0041	0.0173	0.0254
Trypanosoma brucei	calpain-like protein, putative	0.0041	0.0173	0.0254
Trypanosoma cruzi	protein farnesyltransferase, putative	0.0671	0.4502	1
Plasmodium falciparum	protein farnesyltransferase subunit alpha	0.0533	0.3554	0.7865
Trichomonas vaginalis	rheb, putative	0.0458	0.304	0.6708
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0048	0.022	0.0489
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0118	0.0702	0.0702
Trypanosoma cruzi	Protein prenyltransferase alpha subunit repeat, putative	0.0292	0.1897	0.4213
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.0182	0.1142	0.2537
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0292	0.1897	0.4134
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0702	0.1559

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.14 uM	Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by dibutyryl cyclic adenosine 3', 5' -monophosphate (dcAMP)	ChEMBL.	2842503
IC50 (functional)	= 0.21 uM	Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine	ChEMBL.	2842503
Inhibition (binding)	= 67 %	Evaluated for the inhibition of H+/K+ ATPase enzyme from fundic mucosa of white rabbits at 100 microM	ChEMBL.	2842503

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: CHEMBL1202607

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 941370