TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 462.488 | Formula: C16H24B10N3O6+
H donors: 3 H acceptors: 4 LogP: -1.41 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@@H]1O[C@@H](C[C@@H]1O)n1cc(C)c(=O)n(c1=O)CCOCC[B]1234[B]567[C]893[B]3%101[B]1%112[B]245[B]456[B]678([B]793[B]3%101[B]%1124[C]5673)[NH3+]
InChi: 1S/C16H24B10N3O6/c1-9-7-29(12-6-10(31)11(8-30)35-12)14(33)28(13(9)32)3-5-34-4-2-25-16-17-15-18(17)19(15)20(15)22(16,25,26(15,16,17,20)27)24(19,20,25)23(18,19,25)21(16,17,18)25/h7,10-12,30-31H,2-6,8H2,1,27H3/q+1/t10-,11-,12-/m1/s1
InChiKey: MNIGZQWSKYZSRM-IJLUTSLNSA-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

No curated genes were found associated with this compound

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	cathepsin F (C01 family)	0.0137	0.0911	0.0911
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0436	0.0429
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0038	0.0231	0.1132
Echinococcus multilocularis	cpg binding protein	0.0029	0.0175	0.0168
Schistosoma mansoni	bromodomain containing protein	0.0005	0.0007	0.0007
Entamoeba histolytica	cysteine protease, putative	0.0105	0.0695	0.2747
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0041	0.0256	0.0026
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0105	0.0695	0.0695
Entamoeba histolytica	cysteine proteinase 1, putative	0.0105	0.0695	0.2747
Leishmania major	cathepsin L-like protease	0.0205	0.1374	0.117
Echinococcus granulosus	fructose 16 bisphosphatase 1	0.1463	1	1
Toxoplasma gondii	fructose-bisphospatase I	0.0544	0.3702	0.3552
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.1374	0.117
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0038	0.0231	0.168
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0231	0.1132
Brugia malayi	Papain family cysteine protease containing protein	0.0038	0.0231	0.0224
Brugia malayi	Papain family cysteine protease containing protein	0.0038	0.0231	0.0224
Brugia malayi	Papain family cysteine protease containing protein	0.0205	0.1374	0.1368
Schistosoma mansoni	cathepsin S (C01 family)	0.0038	0.0231	0.0231
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.1374	0.714
Onchocerca volvulus	Cathepsin L homolog	0.0205	0.1374	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.1374	0.117
Schistosoma mansoni	cathepsin F (C01 family)	0.0205	0.1374	0.1374
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0105	0.0695	0.0474
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0205	0.1374	0.714
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.1374	0.714
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0231	0.1132
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0141	0.0938	0.0938
Brugia malayi	Cathepsin L-like precursor	0.0205	0.1374	0.1368
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0231	0.1132
Plasmodium vivax	serine-repeat antigen (SERA)	0.0038	0.0231	0.168
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0205	0.1374	0.1368
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0231	0.0224
Trypanosoma cruzi	cysteine peptidase, putative	0.0205	0.1374	0.117
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0137	0.0911	0.4705
Brugia malayi	Papain family cysteine protease containing protein	0.0038	0.0231	0.0224
Trypanosoma cruzi	cysteine peptidase, putative	0.0205	0.1374	0.117
Brugia malayi	Cathepsin L-like precursor	0.0205	0.1374	0.1368
Echinococcus granulosus	cathepsin l1	0.0205	0.1374	0.1368
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.002	0.0013
Echinococcus multilocularis	dnaJ subfamily B	0.0397	0.2696	0.2691
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0038	0.0231	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0436	0.0429
Brugia malayi	Cathepsin L-like precursor	0.0137	0.0911	0.0905
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0041	0.0256	0.0249
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.1374	0.117
Entamoeba histolytica	cysteine proteinase, putative	0.0205	0.1374	0.6775
Loa Loa (eye worm)	cathepsin B	0.0038	0.0231	0.0224
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0205	0.1374	0.1368
Entamoeba histolytica	cysteine protease, putative	0.0205	0.1374	0.6775
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.1463	1	1
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.0233	0.0009
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0032	0.0025
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0032	0.0025
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0205	0.1374	0.714
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.1374	0.117
Toxoplasma gondii	sedoheptulose-1,7-bisphosphatase	0.0544	0.3702	0.3552
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0041	0.0256	0.1863
Entamoeba histolytica	cysteine proteinase, putative	0.0137	0.0911	0.4029
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0205	0.1374	0.1368
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0284	0.1919	1
Schistosoma mansoni	cpg binding protein	0.0029	0.0175	0.0175
Loa Loa (eye worm)	ctsf protein	0.0205	0.1374	0.1368
Schistosoma mansoni	zinc finger protein	0.0005	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0231	0.0224
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0038	0.0231	0.168
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0038	0.0231	0.168
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0105	0.0695	0.0695
Onchocerca volvulus	Cathepsin L homolog	0.0038	0.0231	0.0557
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.1919	1
Echinococcus granulosus	cathepsin L	0.0038	0.0231	0.0224
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0205	0.1374	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0038	0.0231	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0137	0.0911	0.0905
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0038	0.0231	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0137	0.0911	0.0905
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.1374	0.714
Entamoeba histolytica	cysteine protease, putative	0.0105	0.0695	0.2747
Schistosoma mansoni	cathepsin s	0.0068	0.0436	0.0436
Echinococcus granulosus	cathepsin b	0.0038	0.0231	0.0224
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0032	0.0025
Schistosoma mansoni	cpg binding protein	0.0029	0.0175	0.0175
Leishmania major	cathepsin L-like protease	0.0205	0.1374	0.117
Plasmodium vivax	unspecified product	0.0038	0.0231	0.168
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0205	0.1374	0.714
Onchocerca volvulus		0.0205	0.1374	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.1374	0.117
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0038	0.0231	0.0231
Schistosoma mansoni	bromodomain containing protein	0.0005	0.0007	0.0007
Loa Loa (eye worm)	acetyltransferase	0.0141	0.0938	0.0931
Loa Loa (eye worm)	cysteine protease	0.0205	0.1374	0.1368
Echinococcus multilocularis	cathepsin L cysteine protease	0.0205	0.1374	0.1368
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.1374	0.117
Onchocerca volvulus		0.0038	0.0231	0.0557
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0038	0.0231	0.1132
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0105	0.0695	0.3568
Entamoeba histolytica	cysteine protease, putative	0.0105	0.0695	0.2747
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.1374	0.714
Echinococcus multilocularis	cathepsin b	0.0038	0.0231	0.0224
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0205	0.1374	0.714
Brugia malayi	Cathepsin L-like precursor	0.0068	0.0436	0.0429
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0068	0.0436	0.0429
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0038	0.0231	0.0231
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0231	0.1132
Entamoeba histolytica	cysteine proteinase, putative	0.0105	0.0695	0.2747
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0038	0.0231	0.168
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0038	0.0231	0.0224
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.1374	0.117
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0038	0.0231	0.0231
Brugia malayi	Cathepsin L-like precursor	0.0205	0.1374	0.1368
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.002	0.0013
Entamoeba histolytica	cysteine proteinase, putative	0.0105	0.0695	0.2747
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0038	0.0231	0.0231
Echinococcus multilocularis	cysteine protease	0.0205	0.1374	0.1368
Plasmodium vivax	unspecified product	0.0068	0.0436	0.317
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.1919	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.1374	0.117
Entamoeba histolytica	cysteine proteinase, putative	0.0105	0.0695	0.2747
Echinococcus multilocularis	cathepsin b	0.0038	0.0231	0.0224
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0031	0.0024
Leishmania major	cathepsin L-like protease	0.0205	0.1374	0.117
Onchocerca volvulus		0.0205	0.1374	1
Echinococcus granulosus	dnaJ subfamily B	0.0397	0.2696	0.2691
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0105	0.0695	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.0038	0.0231	0.1132
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0038	0.0231	0.0231
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0205	0.1374	0.714
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0105	0.0695	0.3568
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0139	0.0923	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0038	0.0231	0.0231
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0205	0.1374	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0231	0.0224
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.002	0.0013
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0041	0.0256	0.0026
Leishmania major		0.1463	1	1
Giardia lamblia	Fructose-bisphosphate aldolase	0.0284	0.1919	1
Trypanosoma brucei	sedoheptulose-1,7-bisphosphatase	0.0544	0.3702	0.3552
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0205	0.1374	0.714
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.0695	0.0474
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.0378	0.0378
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0231	0.1132
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.1374	0.714
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0038	0.0231	0.168
Brugia malayi	acetyltransferase, GNAT family protein	0.0141	0.0938	0.0931
Toxoplasma gondii	cathepsin CPL	0.0205	0.1374	0.117
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0038	0.0231	0.0231
Echinococcus multilocularis	cathepsin L cysteine protease	0.0205	0.1374	0.1368
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0038	0.0231	0.0224
Loa Loa (eye worm)	fructose-1,6-bisphosphatase	0.1463	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0205	0.1374	0.714
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0205	0.1374	1
Onchocerca volvulus	Cathepsin F homolog	0.0205	0.1374	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0038	0.0231	0.0231
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0038	0.0231	0.168
Onchocerca volvulus		0.0205	0.1374	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.0358	0.013
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0231	0.1132
Trypanosoma cruzi	cruzipain precursor, putative	0.0205	0.1374	0.117
Brugia malayi	Cathepsin L-like precursor	0.0205	0.1374	0.1368
Entamoeba histolytica	cysteine protease, putative	0.0105	0.0695	0.2747
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.1374	0.714
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0038	0.0231	0.0224
Schistosoma mansoni	cpg binding protein	0.0028	0.0164	0.0164
Onchocerca volvulus		0.0205	0.1374	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.1374	0.714
Brugia malayi	cathepsin L-like precursor	0.0137	0.0911	0.0905
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.0233	0.0009
Trypanosoma cruzi	cysteine protease, putative	0.0105	0.0695	0.0474
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0205	0.1374	0.1368
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0038	0.0231	0.168
Plasmodium vivax	vivapain-1	0.0105	0.0695	0.5053
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0231	0.1132
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0205	0.1374	0.714
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0137	0.0911	0.0696
Trypanosoma cruzi	cysteine proteinase, putative	0.0105	0.0695	0.0474
Echinococcus multilocularis	cysteine protease	0.0205	0.1374	0.1368
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.0038	0.0231	0.1132
Brugia malayi	Papain family cysteine protease containing protein	0.0105	0.0695	0.0688
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0038	0.0231	0.168
Loa Loa (eye worm)	hypothetical protein	0.0137	0.0911	0.0905
Entamoeba histolytica	cysteine proteinase 2	0.0105	0.0695	0.2747
Onchocerca volvulus		0.0205	0.1374	1
Schistosoma mansoni	hypothetical protein	0.0397	0.2696	0.2696
Brugia malayi	cathepsin L-like cysteine proteinase	0.0038	0.0231	0.0224
Entamoeba histolytica	cysteine protease, putative	0.0105	0.0695	0.2747
Entamoeba histolytica	cysteine protease, putative	0.0105	0.0695	0.2747
Plasmodium vivax	serine-repeat antigen (SERA)	0.0038	0.0231	0.168
Plasmodium vivax	vivapain-2	0.0205	0.1374	1
Entamoeba histolytica	cysteine protease, putative	0.0105	0.0695	0.2747
Brugia malayi	cathepsin L precursor	0.0038	0.0231	0.0224
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.1919	1
Trypanosoma cruzi	fructose-1,6-bisphosphatase, cytosolic, putative	0.1463	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.1374	0.714
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0231	0.1132
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.1374	0.117
Schistosoma mansoni	fructose-16-bisphosphatase-related	0.1463	1	1
Entamoeba histolytica	cysteine protease, putative	0.0105	0.0695	0.2747
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0231	0.0224
Entamoeba histolytica	cysteine proteinase, putative	0.0205	0.1374	0.6775
Entamoeba histolytica	cysteine protease, putative	0.0105	0.0695	0.2747
Echinococcus granulosus	cathepsin b	0.0038	0.0231	0.0224
Leishmania major	cathepsin L-like protease	0.0205	0.1374	0.117
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0231	0.0224
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0038	0.0231	0.0231
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.1374	0.117
Brugia malayi	Cathepsin L-like precursor	0.0205	0.1374	0.1368
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.1374	0.714
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0038	0.0231	0.0231
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0038	0.0231	0.168
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.1919	1
Entamoeba histolytica	cysteine protease, putative	0.0105	0.0695	0.2747
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.1374	0.714
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0164	0.0157
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0205	0.1374	0.1368
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0137	0.0911	0.4705
Echinococcus granulosus	cathepsin L	0.0105	0.0695	0.0688
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.002	0.002
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0038	0.0231	0.0231
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.1374	0.714
Plasmodium vivax	vivapain-2	0.0205	0.1374	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0105	0.0695	0.0474
Brugia malayi	Cathepsin L-like precursor	0.0205	0.1374	0.1368
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.1919	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.0038	0.0231	0.1132
Entamoeba histolytica	cysteine protease, putative	0.0105	0.0695	0.2747
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0105	0.0695	0.0695
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.0233	0.0013
Schistosoma mansoni	cathepsin C	0.0038	0.0231	0.0231
Echinococcus multilocularis	cathepsin L	0.0038	0.0231	0.0224
Treponema pallidum	fructose-bisphosphate aldolase	0.0284	0.1919	0.5
Schistosoma mansoni	cathepsin B (C01 family)	0.0038	0.0231	0.0231
Leishmania major	cathepsin L-like protease	0.0205	0.1374	0.117
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0231	0.1132
Trypanosoma brucei	fructose-1,6-bisphosphatase	0.1463	1	1
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0041	0.0256	0.1264
Echinococcus granulosus	cpg binding protein	0.0029	0.0175	0.0168
Brugia malayi	cathepsin F-like cysteine proteinase	0.0038	0.0231	0.0224
Brugia malayi	Cathepsin L-like precursor	0.0137	0.0911	0.0905
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0038	0.0231	0.1132
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0137	0.0911	0.0904
Loa Loa (eye worm)	hypothetical protein	0.0205	0.1374	0.1368
Echinococcus granulosus	cathepsin L cysteine protease	0.0105	0.0695	0.0688
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0231	0.1132
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0038	0.0231	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0231	0.0224
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.1919	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	0.0436	0.021
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0164	0.0157
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0205	0.1374	0.714
Echinococcus granulosus	cathepsin l1	0.0137	0.0911	0.0905
Loa Loa (eye worm)	fibroinase	0.0205	0.1374	0.1368
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0205	0.1374	0.1368
Entamoeba histolytica	cysteine protease, putative	0.0105	0.0695	0.2747
Entamoeba histolytica	cysteine protease, putative	0.0105	0.0695	0.2747
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0038	0.0231	0.0231
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0038	0.0231	0.168
Trypanosoma cruzi	cysteine peptidase, putative	0.0205	0.1374	0.117
Trypanosoma cruzi	cysteine peptidase, putative	0.0205	0.1374	0.117
Leishmania major	cathepsin L-like protease	0.0205	0.1374	0.117
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0205	0.1374	0.117
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0041	0.0256	0.1264
Toxoplasma gondii	fructose-bisphospatase II	0.1463	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0205	0.1374	0.714
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0231	0.0224
Brugia malayi	cathepsin F-like cysteine proteinase	0.0068	0.0436	0.0429
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0137	0.0911	0.0905
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0068	0.0436	0.0429
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.0544	0.3702	0.3552
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.1919	1
Trypanosoma cruzi	sedoheptulose-1,7-bisphosphatase, putative	0.0544	0.3702	0.3552
Entamoeba histolytica	cysteine proteinase, putative	0.0105	0.0695	0.2747
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.1374	0.714
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0436	0.0429
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.0695	0.0474
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0284	0.1919	1
Brugia malayi	fibroinase precursor	0.0038	0.0231	0.0224
Echinococcus multilocularis	fructose 1,6 bisphosphatase 1	0.1463	1	1
Onchocerca volvulus		0.0137	0.0911	0.6172
Trypanosoma cruzi	cysteine peptidase, putative	0.0105	0.0695	0.0474
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.1374	0.714
Echinococcus granulosus	cysteine protease	0.0105	0.0695	0.0688
Brugia malayi	Papain family cysteine protease containing protein	0.0105	0.0695	0.0688
Onchocerca volvulus	Cathepsin L homolog	0.0205	0.1374	1
Plasmodium vivax	unspecified product	0.0105	0.0695	0.5053
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0038	0.0231	0.1132
Echinococcus multilocularis	cathepsin L	0.0105	0.0695	0.0688
Plasmodium vivax	vivapain-3	0.0105	0.0695	0.5053
Trypanosoma cruzi	cruzipain precursor, putative	0.0068	0.0436	0.021
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0139	0.0923	0.5
Leishmania major	cathepsin L-like protease	0.0205	0.1374	0.117
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.002	0.0013
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0284	0.1919	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0205	0.1374	0.1374
Onchocerca volvulus		0.0205	0.1374	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0231	0.1132
Onchocerca volvulus		0.0205	0.1374	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.0038	0.0231	0.1132
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0139	0.0923	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0038	0.0231	0.0231
Leishmania major	cathepsin L-like protease	0.0205	0.1374	0.117
Leishmania major	cysteine peptidase A (CPA)	0.0205	0.1374	0.117
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0038	0.0231	0.0231
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0038	0.0231	0.1132
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0205	0.1374	0.714
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0205	0.1374	0.714
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0141	0.0938	0.0931

Activities

Activity type	Activity value	Assay description	Source	Reference
Phosphorylation rate (functional)	= 0.5 uM	Mean phosphorylation rate of 100 uM compound by recombinant human thymidine kinase 2 (mitochondrial)	ChEMBL.	15715485
Phosphorylation rate (functional)	= 75.1 uM	Mean phosphorylation rate of 10 uM compound by recombinant human thymidine kinase 1 (cytosolic) expressing wild type L929 tumor cells	ChEMBL.	15715485
Retention time (ADMET)	= 14.48 min	Mean retention time of the compound was determined in reversed phase HPLC (RP-18)	ChEMBL.	15715485

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: 398545

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 408673