TDR Targets

Basic information

Technical information

TDR Targets ID: 1323081
Name: 7-bromo-2-[[4-methyl-5-(2-methylfuran-3-yl)-1 ,2,4-triazol-3-yl]sulfanylmethyl]pyrido[2,1-b ]pyrimidin-4-one
MW: 432.294 | Formula: C17H14BrN5O2S
H donors: 0 H acceptors: 3 LogP: 1.51 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc2n(c1)c(=O)cc(n2)CSc1nnc(n1C)c1ccoc1C
InChi: 1S/C17H14BrN5O2S/c1-10-13(5-6-25-10)16-20-21-17(22(16)2)26-9-12-7-15(24)23-8-11(18)3-4-14(23)19-12/h3-8H,9H2,1-2H3
InChiKey: PDZGHAIQPMKFEQ-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

7-bromo-2-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyrido[2,1-b]pyrimidin-4-one
7-bromo-2-[[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]-4-pyrido[2,1-b]pyrimidinone
7-bromo-2-[[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]pyrido[2,1-b]pyrimidin-4-one
MLS000053708
ZINC03417666
SMR000064410
T5329745

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	arachidonate 15-lipoxygenase	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references
Homo sapiens	estrogen receptor 2 (ER beta)	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	arachidonate 5 lipoxygenase	arachidonate 15-lipoxygenase	662 aa	590 aa	23.9 %
Loa Loa (eye worm)	hypothetical protein	estrogen receptor 2 (ER beta)	495 aa	418 aa	25.8 %
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	cathepsin L-like protease	0.0051	0.2158	0.5545
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0476	0.1809
Echinococcus multilocularis	Polycystic kidney disease protein	0.0024	0.0507	0.0032
Brugia malayi	Papain family cysteine protease containing protein	0.0028	0.0784	0.0784
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0067	0.3105	0.276
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0051	0.2158	0.2158
Leishmania major	cathepsin L-like protease	0.0051	0.2158	0.5545
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0152	0.83	1
Brugia malayi	hypothetical protein	0.0024	0.0507	0.0507
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0051	0.2158	0.1766
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0476	0.1809
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0028	0.0784	0.0945
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0051	0.2158	0.847
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0036	0.1221	0.3753
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.3509	0.3184
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0507	0.0507
Echinococcus multilocularis	cysteine protease	0.0051	0.2158	0.1766
Brugia malayi	Cathepsin L-like precursor	0.0051	0.2158	0.2158
Echinococcus granulosus	cathepsin l1	0.0036	0.1221	0.0782
Onchocerca volvulus		0.0051	0.2158	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0051	0.2158	0.26
Plasmodium vivax	multidomain scavenger receptor, putative	0.0024	0.0507	0.2349
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0024	0.0507	0.0032
Entamoeba histolytica	cysteine proteinase, putative	0.0028	0.0784	0.1831
Entamoeba histolytica	cysteine proteinase, putative	0.0051	0.2158	1
Onchocerca volvulus		0.0051	0.2158	1
Onchocerca volvulus		0.0051	0.2158	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0051	0.2158	0.847
Entamoeba histolytica	cysteine protease, putative	0.0028	0.0784	0.1831
Echinococcus granulosus	cathepsin b	0.0152	0.83	0.8215
Brugia malayi	Cathepsin L-like precursor	0.0036	0.1221	0.1221
Leishmania major	cysteine peptidase A (CPA)	0.0051	0.2158	0.5545
Echinococcus multilocularis	muscleblind protein 1	0.018	1	1
Leishmania major	cathepsin L-like protease	0.0051	0.2158	0.5545
Entamoeba histolytica	cysteine protease, putative	0.0028	0.0784	0.1831
Schistosoma mansoni	polycystin 1-related	0.0024	0.0507	0.0611
Entamoeba histolytica	cysteine protease, putative	0.0028	0.0784	0.1831
Echinococcus multilocularis	cathepsin b	0.0152	0.83	0.8215
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0476	0.1809
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0051	0.2158	0.847
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0028	0.0784	0.0945
Toxoplasma gondii	cathepsin B	0.0056	0.2462	0.2249
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.3509	1
Entamoeba histolytica	cysteine proteinase, putative	0.0036	0.1221	0.443
Echinococcus multilocularis	cathepsin L cysteine protease	0.0051	0.2158	0.1766
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.2158	0.8747
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0476	0.1809
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0476	0.1809
Plasmodium vivax	vivapain-1	0.0028	0.0784	0.3634
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0152	0.83	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0028	0.0784	0.1551
Loa Loa (eye worm)	hypothetical protein	0.0051	0.2158	0.2158
Onchocerca volvulus		0.0036	0.1221	0.4327
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0028	0.0784	0.1551
Echinococcus granulosus	cathepsin b	0.0152	0.83	0.8215
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1221	0.1221
Giardia lamblia	Cathepsin B precursor	0.0056	0.2462	1
Loa Loa (eye worm)	cathepsin B	0.0056	0.2462	0.2462
Brugia malayi	Cathepsin L-like precursor	0.0051	0.2158	0.2158
Echinococcus multilocularis	cysteine protease	0.0051	0.2158	0.1766
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0507	0.0507
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0023	0.0476	0.0574
Onchocerca volvulus		0.0051	0.2158	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0476	0.0476
Loa Loa (eye worm)	fibroinase	0.0051	0.2158	0.2158
Entamoeba histolytica	cysteine protease, putative	0.0028	0.0784	0.1831
Entamoeba histolytica	cysteine proteinase, putative	0.0051	0.2158	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0051	0.2158	0.847
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0051	0.2158	0.847
Trypanosoma cruzi	cruzipain precursor, putative	0.0051	0.2158	0.26
Echinococcus multilocularis	cathepsin L cysteine protease	0.0051	0.2158	0.1766
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0028	0.0784	0.308
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0051	0.2158	0.847
Brugia malayi	Cathepsin L-like precursor	0.0051	0.2158	0.2158
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.3509	0.3184
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0051	0.2158	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0152	0.83	0.83
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0051	0.2158	0.847
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0476	0.0574
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0476	0.1809
Echinococcus multilocularis	cathepsin L	0.0028	0.0784	0.0323
Plasmodium vivax	vivapain-2	0.0051	0.2158	1
Onchocerca volvulus	Cathepsin F homolog	0.0051	0.2158	1
Loa Loa (eye worm)	hypothetical protein	0.0152	0.83	0.83
Trypanosoma cruzi	cysteine protease, putative	0.0028	0.0784	0.0945
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.3509	1
Entamoeba histolytica	cysteine protease, putative	0.0028	0.0784	0.1831
Entamoeba histolytica	cysteine protease, putative	0.0028	0.0784	0.1831
Trypanosoma cruzi	cysteine peptidase, putative	0.0051	0.2158	0.26
Onchocerca volvulus		0.0051	0.2158	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0023	0.0476	0.0574
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.0476	0.0476
Schistosoma mansoni	DNA polymerase eta	0.0023	0.0476	0.0574
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0476	0.1809
Onchocerca volvulus	Cathepsin L homolog	0.0051	0.2158	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.2158	0.8747
Leishmania major	cathepsin L-like protease	0.0051	0.2158	0.5545
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0051	0.2158	0.847
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0152	0.83	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0036	0.1221	0.3753
Brugia malayi	Cathepsin L-like precursor	0.0051	0.2158	0.2158
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0036	0.1221	0.1221
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0028	0.0784	0.0945
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.2158	0.8747
Echinococcus granulosus	cathepsin l1	0.0051	0.2158	0.1766
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0028	0.0784	0.308
Brugia malayi	Papain family cysteine protease containing protein	0.0028	0.0784	0.0784
Entamoeba histolytica	cysteine proteinase 1, putative	0.0028	0.0784	0.1831
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0024	0.0507	0.0032
Schistosoma mansoni	loxhd1	0.0024	0.0507	0.0611
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.3509	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0476	0.0574
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0051	0.2158	0.847
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0152	0.83	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0051	0.2158	0.847
Entamoeba histolytica	cysteine proteinase, putative	0.0028	0.0784	0.1831
Entamoeba histolytica	cysteine protease, putative	0.0028	0.0784	0.1831
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0051	0.2158	0.847
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0476	0.1809
Entamoeba histolytica	cysteine protease, putative	0.0051	0.2158	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0051	0.2158	0.26
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0051	0.2158	0.847
Plasmodium vivax	unspecified product	0.0028	0.0784	0.3634
Echinococcus granulosus	lipoxygenase domain containing protein	0.0024	0.0507	0.0032
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0056	0.2462	0.2966
Echinococcus granulosus	cysteine protease	0.0028	0.0784	0.0323
Schistosoma mansoni	lipoxygenase	0.0067	0.3105	0.3741
Trypanosoma cruzi	cysteine proteinase, putative	0.0028	0.0784	0.0945
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.2158	0.8747
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0028	0.0784	0.0945
Loa Loa (eye worm)	ctsf protein	0.0051	0.2158	0.2158
Entamoeba histolytica	cysteine protease, putative	0.0028	0.0784	0.1831
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0051	0.2158	0.847
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0051	0.2158	0.847
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.2158	0.8747
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.3509	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0028	0.0784	0.0945
Echinococcus multilocularis	RUN	0.0024	0.0507	0.0032
Echinococcus granulosus	cathepsin L	0.0028	0.0784	0.0323
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0051	0.2158	0.847
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1221	0.1221
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Brugia malayi	Cathepsin L-like precursor	0.0036	0.1221	0.1221
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0036	0.1221	0.1471
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Entamoeba histolytica	cysteine protease, putative	0.0028	0.0784	0.1831
Trypanosoma cruzi	cysteine proteinase, putative	0.0028	0.0784	0.0945
Leishmania major	cathepsin L-like protease	0.0051	0.2158	0.5545
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.3509	1
Plasmodium vivax	vivapain-2	0.0051	0.2158	1
Entamoeba histolytica	cysteine protease, putative	0.0028	0.0784	0.1831
Giardia lamblia	Cathepsin B precursor	0.0056	0.2462	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0051	0.2158	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.3509	0.4228
Brugia malayi	Cathepsin L-like precursor	0.0051	0.2158	0.2158
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1221	0.1221
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0051	0.2158	0.847
Entamoeba histolytica	cysteine proteinase, putative	0.0028	0.0784	0.1831
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0023	0.0476	0.0574
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.2158	0.8747
Echinococcus granulosus	cathepsin L cysteine protease	0.0028	0.0784	0.0323
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0152	0.83	1
Echinococcus granulosus	muscleblind protein	0.018	1	1
Schistosoma mansoni	rab6-interacting	0.0024	0.0507	0.0611
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.3509	0.4228
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0051	0.2158	0.847
Echinococcus multilocularis	muscleblind protein	0.018	1	1
Schistosoma mansoni	lipoxygenase	0.0024	0.0507	0.0611
Schistosoma mansoni	cathepsin F (C01 family)	0.0036	0.1221	0.1471
Loa Loa (eye worm)	cysteine protease	0.0051	0.2158	0.2158
Trypanosoma brucei	unspecified product	0.0023	0.0476	0.1809
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0476	0.1809
Onchocerca volvulus		0.0051	0.2158	1
Leishmania major	cathepsin L-like protease	0.0051	0.2158	0.5545
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0056	0.2462	0.2966
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0051	0.2158	0.1766
Echinococcus multilocularis	cathepsin b	0.0152	0.83	0.8215
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0051	0.2158	0.847
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0056	0.2462	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0051	0.2158	0.26
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.2158	0.8747
Brugia malayi	cathepsin L-like precursor	0.0036	0.1221	0.1221
Entamoeba histolytica	cysteine protease, putative	0.0028	0.0784	0.1831
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0476	0.0476
Trypanosoma cruzi	cysteine peptidase, putative	0.0051	0.2158	0.26
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0051	0.2158	0.847
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0051	0.2158	0.847
Plasmodium vivax	vivapain-3	0.0028	0.0784	0.3634
Brugia malayi	Doublecortin family protein	0.0024	0.0507	0.0507
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0476	0.1809
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.3509	1
Schistosoma mansoni	hypothetical protein	0.0024	0.0507	0.0611
Schistosoma mansoni	cathepsin F (C01 family)	0.0051	0.2158	0.26
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0476	0.1809
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.2158	0.8747
Trypanosoma brucei	DNA polymerase eta, putative	0.0023	0.0476	0.1809
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0476	0.1809
Entamoeba histolytica	cysteine proteinase 2	0.0028	0.0784	0.1831
Echinococcus granulosus	lipoxygenase domain containing protein	0.0024	0.0507	0.0032
Entamoeba histolytica	cysteine proteinase, putative	0.0028	0.0784	0.1831
Echinococcus granulosus	Polycystic kidney disease protein	0.0024	0.0507	0.0032
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0051	0.2158	0.847
Entamoeba histolytica	cysteine protease, putative	0.0028	0.0784	0.1831
Brugia malayi	Cathepsin L-like precursor	0.0051	0.2158	0.2158
Onchocerca volvulus	Cathepsin L homolog	0.0051	0.2158	1
Leishmania major	cathepsin L-like protease	0.0051	0.2158	0.5545
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0051	0.2158	0.847
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0028	0.0784	0.168
Brugia malayi	Papain family cysteine protease containing protein	0.0051	0.2158	0.2158
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0051	0.2158	0.2158
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0051	0.2158	1
Schistosoma mansoni	rab6-interacting	0.0024	0.0507	0.0611
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0476	0.0574
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0051	0.2158	0.1766
Brugia malayi	hypothetical protein	0.0024	0.0507	0.0507
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0051	0.2158	0.847
Echinococcus granulosus	RUN	0.0024	0.0507	0.0032
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0056	0.2462	0.6547
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0051	0.2158	0.1766
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0051	0.2158	0.847
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0067	0.3105	0.276
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.2158	0.8747
Onchocerca volvulus		0.0051	0.2158	1
Giardia lamblia	Cathepsin B precursor	0.0056	0.2462	1
Entamoeba histolytica	cysteine protease, putative	0.0028	0.0784	0.1831
Loa Loa (eye worm)	doublecortin family protein	0.0024	0.0507	0.0507
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0476	0.0574
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0476	0.0476
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.2158	0.8747
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0051	0.2158	0.8747
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0476	0.1809
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0051	0.2158	0.847
Leishmania major	cathepsin L-like protease	0.0051	0.2158	0.5545
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0056	0.2462	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.468120089 um	PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Secondary Assay. (Class of assay: confirmatory) [Related pubchem assays: 633 (Primary screen preceding this ELISA dose response confirmation assay.), 733 (Primary dose response assay preceding this ELISA dose response confirmation assay.)]	ChEMBL.	No reference
IC50 (binding)	> 50 um	PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 633 (Primary screen preceding this dose response confirmation assay.)]	ChEMBL.	No reference
IC50 (binding)	> 50 um	PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 629 (Primary screen preceding this dose response confirmation assay.)]	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (binding)	12.5893 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.3489 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	= 18.8699 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	ChEMBL23

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: CHEMBL1432915

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1323081