TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 464.397 | Formula: C22H19F2N4NaO4
H donors: 2 H acceptors: 4 LogP: 5.2 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O[C@@H](C[C@H](CC(=O)[O-])O)/C=C/C(=C(c1ccc(cc1)F)c1ccc(cc1)F)C1N=NN=N1.[Na+]
InChi: 1S/C22H20F2N4O4.Na/c23-15-5-1-13(2-6-15)21(14-3-7-16(24)8-4-14)19(22-25-27-28-26-22)10-9-17(29)11-18(30)12-20(31)32;/h1-10,17-18,22,29-30H,11-12H2,(H,31,32);/q;+1/p-1/b10-9+;/t17-,18-;/m1./s1
InChiKey: CGRZVAYEMSCJLI-VBQXHBBFSA-M

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	HMG-CoA reductase	Starlite/ChEMBL	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_127955	All targets in OG5_127955
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	Get druggable targets OG5_127955	All targets in OG5_127955
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	Get druggable targets OG5_127955	All targets in OG5_127955
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	Get druggable targets OG5_127955	All targets in OG5_127955
Leishmania mexicana	3-hydroxy-3-methylglutaryl-CoA reductase, putative	Get druggable targets OG5_127955	All targets in OG5_127955
Brugia malayi	Hydroxymethylglutaryl-coenzyme A reductase family protein	Get druggable targets OG5_127955	All targets in OG5_127955
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	Get druggable targets OG5_127955	All targets in OG5_127955
Trypanosoma congolense	3-hydroxy-3-methylglutaryl-CoA reductase, putative	Get druggable targets OG5_127955	All targets in OG5_127955
Trypanosoma brucei gambiense	3-hydroxy-3-methylglutaryl-CoA reductase, putative	Get druggable targets OG5_127955	All targets in OG5_127955
Candida albicans	hydroxymethylglutaryl-CoA reductase (ergosterol biosynthesis)	Get druggable targets OG5_127955	All targets in OG5_127955
Schistosoma japonicum	ko:K00021 3-hydroxy-3-methylglutaryl-CoA reductase [EC1.1.1.34], putative	Get druggable targets OG5_127955	All targets in OG5_127955
Leishmania infantum	3-hydroxy-3-methylglutaryl-CoA reductase, putative	Get druggable targets OG5_127955	All targets in OG5_127955
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	Get druggable targets OG5_127955	All targets in OG5_127955
Candida albicans	hydroxymethylglutaryl-CoA reductase (ergosterol biosynthesis)	Get druggable targets OG5_127955	All targets in OG5_127955
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	Get druggable targets OG5_127955	All targets in OG5_127955
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	Get druggable targets OG5_127955	All targets in OG5_127955
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	Get druggable targets OG5_127955	All targets in OG5_127955
Leishmania donovani	3-hydroxy-3-methylglutaryl-CoA reductase, putative	Get druggable targets OG5_127955	All targets in OG5_127955
Leishmania braziliensis	3-hydroxy-3-methylglutaryl-CoA reductase, putative	Get druggable targets OG5_127955	All targets in OG5_127955

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
Echinococcus multilocularis	protein patched	0.0068	0.0417	0.0702
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0033	0.0184	0.1735
Schistosoma mansoni	exonuclease	0.0006	0.0005	0.005
Entamoeba histolytica	cysteine protease, putative	0.001	0.0031	0.1957
Entamoeba histolytica	s phingosine-1-phosphate lyase 1, putative	0.0011	0.0042	0.2691
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0165	0.1062	1
Brugia malayi	Cytochrome P450 family protein	0.0014	0.0056	0.0346
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.005	0.0263
Loa Loa (eye worm)	hypothetical protein	0.0165	0.1062	0.7149
Loa Loa (eye worm)	ctsf protein	0.0019	0.0091	0.0578
Mycobacterium ulcerans	histidinol dehydrogenase	0.1514	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0439	0.4107
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0439	0.4107
Entamoeba histolytica	cysteine protease, putative	0.001	0.0031	0.1957
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0051	0.0434
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.001	0.0032	0.0252
Schistosoma mansoni	cathepsin F (C01 family)	0.0019	0.0091	0.0855
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0091	0.0506
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.001	0.0031	0.0288
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0184	0.1735
Trichomonas vaginalis	group II pyridoxal-5-phosphate decarboxylase, putative	0.0011	0.0042	0.0218
Entamoeba histolytica	cysteine protease, putative	0.001	0.0031	0.1957
Loa Loa (eye worm)	RecQ helicase	0.0024	0.0125	0.0808
Trypanosoma cruzi	cysteine peptidase, putative	0.0071	0.0439	0.4107
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0091	0.0506
Entamoeba histolytica	cysteine proteinase 1, putative	0.001	0.0031	0.1957
Echinococcus granulosus	cathepsin L	0.001	0.0031	0.024
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0091	0.0506
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.0165	0.1062	1
Plasmodium vivax	vivapain-2	0.0019	0.0091	0.4775
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0019	0.0091	0.0578
Schistosoma mansoni	cathepsin F (C01 family)	0.0013	0.005	0.0469
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0016	0.0072	0.1768
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0091	0.0506
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0439	0.4107
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0184	0.1735
Trypanosoma brucei	Pyridoxal-dependent decarboxylase conserved domain containing protein, putative	0.0011	0.0042	0.0348
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.001	0.0032	0.1764
Echinococcus granulosus	sterol regulatory element binding protein	0.0068	0.0417	0.3902
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0165	0.1062	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0068	0.0417	0.3902
Schistosoma mansoni	xp-G/rad2 DNA repair endonuclease family member	0.0006	0.0005	0.005
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0019	0.0091	0.5651
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0019	0.0091	0.0146
Brugia malayi	Flap endonuclease-1	0.0029	0.0156	0.1023
Onchocerca volvulus	Cathepsin L homolog	0.0019	0.0091	0.025
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0042	0.0249
Entamoeba histolytica	Flap nuclease, putative	0.0029	0.0156	1
Giardia lamblia	Sgs1 DNA helicase, putative	0.001	0.0032	0.0561
Leishmania major	cathepsin L-like protease	0.0071	0.0439	0.4107
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0019	0.0091	0.0578
Entamoeba histolytica	cysteine protease, putative	0.001	0.0031	0.1957
Echinococcus granulosus	cathepsin L cysteine protease	0.001	0.0031	0.024
Schistosoma mansoni	DNA helicase recq1	0.001	0.0032	0.0301
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0439	0.4107
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0019	0.0091	0.5651
Brugia malayi	biogenic amine synthesis related protein 1	0.0011	0.0042	0.0249
Trypanosoma cruzi	cysteine peptidase, putative	0.001	0.0031	0.024
Trypanosoma cruzi	cysteine proteinase, putative	0.001	0.0031	0.024
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0051	0.0434
Loa Loa (eye worm)	fibroinase	0.0019	0.0091	0.0578
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0091	0.0506
Trypanosoma cruzi	cysteine peptidase, putative	0.0019	0.0091	0.0809
Schistosoma mansoni	patched 1	0.0068	0.0417	0.3933
Toxoplasma gondii	XPG N-terminal domain-containing protein	0.0006	0.0005	0.013
Echinococcus multilocularis	protein dispatched 1	0.0068	0.0417	0.0702
Entamoeba histolytica	cysteine proteinase, putative	0.001	0.0031	0.1957
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0091	0.0506
Loa Loa (eye worm)	TDC-1 protein	0.0011	0.0042	0.0249
Onchocerca volvulus		0.0019	0.0091	0.025
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0078	0.048	1
Toxoplasma gondii	XPG N-terminal domain-containing protein	0.0006	0.0005	0.013
Entamoeba histolytica	cysteine protease, putative	0.001	0.0031	0.1957
Echinococcus multilocularis	flap endonuclease 1	0.0029	0.0156	0.0258
Entamoeba histolytica	cysteine proteinase, putative	0.001	0.0031	0.1957
Loa Loa (eye worm)	CYP4Cod1	0.0014	0.0056	0.0346
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0091	0.0506
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0029	0.0156	0.1431
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0229	0.1483	1
Loa Loa (eye worm)	aromatic L-amino acid decarboxylase	0.0011	0.0042	0.0249
Entamoeba histolytica	DNA-repair protein, putative	0.0006	0.0005	0.034
Brugia malayi	Pyridoxal-dependent decarboxylase conserved domain containing protein	0.0011	0.0042	0.0249
Loa Loa (eye worm)	hypothetical protein	0.001	0.0032	0.018
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0019	0.0091	0.0506
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0091	0.0578
Schistosoma mansoni	phenylalanine decarboxylase	0.0011	0.0042	0.0397
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0067	0.0409	0.0369
Onchocerca volvulus		0.0019	0.0091	0.025
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0091	0.0506
Entamoeba histolytica	cysteine protease, putative	0.001	0.0031	0.1957
Brugia malayi	Bloom's syndrome protein homolog	0.0024	0.0125	0.0808
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0091	0.0578
Toxoplasma gondii	aldehyde dehydrogenase	0.0067	0.0409	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0014	0.0056	0.0346
Onchocerca volvulus		0.0019	0.0091	0.025
Loa Loa (eye worm)	hypothetical protein	0.0013	0.005	0.0301
Mycobacterium tuberculosis	Probable histidinol dehydrogenase HisD (HDH)	0.1514	1	1
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0091	0.0578
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0019	0.0091	0.0146
Schistosoma mansoni	DNA helicase recq5	0.001	0.0032	0.0301
Trypanosoma cruzi	cysteine protease, putative	0.001	0.0031	0.024
Onchocerca volvulus		0.0019	0.0091	0.025
Toxoplasma gondii	XPG N-terminal domain-containing protein	0.0006	0.0005	0.013
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.001	0.0031	0.024
Brugia malayi	glutamate decarboxylase putative	0.0011	0.0042	0.0249
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0014	0.0056	0.0014
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0091	0.0506
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0439	0.4107
Brugia malayi	Pyridoxal-dependent decarboxylase conserved domain containing protein	0.0011	0.0042	0.0249
Trichomonas vaginalis	set domain proteins, putative	0.026	0.1692	1
Echinococcus multilocularis	cysteine protease	0.0019	0.0091	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0008	0.0016
Brugia malayi	cathepsin F-like cysteine proteinase	0.0006	0.0008	0.0016
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0032	0.018
Plasmodium vivax	unspecified product	0.0006	0.0008	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0013	0.005	0.0301
Entamoeba histolytica	cysteine protease, putative	0.001	0.0031	0.1957
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0032	0.018
Leishmania major	cytochrome p450-like protein	0.0014	0.0056	0.0483
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.0165	0.1062	1
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0016	0.0074	0.3816
Brugia malayi	cathepsin L-like precursor	0.0013	0.005	0.0301
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0006	0.0008	0.0016
Plasmodium vivax	vivapain-2	0.0019	0.0091	0.4775
Trichomonas vaginalis	DNA helicase recq, putative	0.0024	0.0125	0.0708
Leishmania major	cathepsin L-like protease	0.0019	0.0091	0.0809
Plasmodium vivax	flap endonuclease 1, putative	0.0029	0.0156	0.8449
Loa Loa (eye worm)	sphingosine-1-phosphate lyase 1	0.0011	0.0042	0.0249
Echinococcus granulosus	cathepsin l1	0.0019	0.0091	0.0809
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0091	0.0506
Echinococcus multilocularis	cathepsin L cysteine protease	0.0019	0.0091	0.0146
Trypanosoma cruzi	cysteine peptidase, putative	0.0071	0.0439	0.4107
Entamoeba histolytica	cysteine protease, putative	0.0019	0.0091	0.5799
Onchocerca volvulus		0.0019	0.0091	0.025
Schistosoma mansoni	phenylalanine decarboxylase	0.0011	0.0042	0.0397
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0091	0.0506
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.001	0.0031	0.015
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0019	0.0091	0.0809
Entamoeba histolytica	cysteine protease, putative	0.001	0.0031	0.1957
Echinococcus multilocularis	cysteine protease	0.0019	0.0091	0.0146
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0439	0.4107
Brugia malayi	Aromatic-L-amino-acid decarboxylase	0.0011	0.0042	0.0249
Trypanosoma cruzi	cytochrome P450, putative	0.0014	0.0056	0.0483
Trypanosoma cruzi	cysteine proteinase, putative	0.001	0.0031	0.024
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0439	0.4107
Brugia malayi	Pre-SET motif family protein	0.0033	0.0184	0.1211
Loa Loa (eye worm)	glutamate decarboxylase GAD1	0.0011	0.0042	0.0249
Trypanosoma cruzi	cruzipain precursor, putative	0.0006	0.0008	0.0023
Loa Loa (eye worm)	cytochrome P450 family protein	0.0014	0.0056	0.0346
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0065	0.0398	0.3719
Onchocerca volvulus	Cathepsin F homolog	0.0019	0.0091	0.025
Toxoplasma gondii	XPG N-terminal domain-containing protein	0.0006	0.0005	0.013
Leishmania major	cathepsin L-like protease	0.0071	0.0439	0.4107
Trichomonas vaginalis	DNA helicase recq1, putative	0.0024	0.0125	0.0708
Schistosoma mansoni	phenylalanine decarboxylase	0.0011	0.0042	0.0397
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.001	0.0032	0.0252
Schistosoma mansoni	phenylalanine decarboxylase	0.0011	0.0042	0.0397
Brugia malayi	Papain family cysteine protease containing protein	0.001	0.0031	0.0171
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.001	0.0032	0.018
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.0409	0.0369
Loa Loa (eye worm)	hypothetical protein	0.001	0.0031	0.0171
Trypanosoma cruzi	cytochrome P450, putative	0.0014	0.0056	0.0483
Brugia malayi	Cytochrome P450 family protein	0.0014	0.0056	0.0346
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0029	0.0156	0.1431
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0091	0.0506
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0091	0.0578
Trypanosoma cruzi	cysteine peptidase, putative	0.0071	0.0439	0.4107
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.0409	0.3854
Toxoplasma gondii	cathepsin CPL	0.0019	0.0091	0.2218
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.0409	0.3854
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0184	0.1211
Entamoeba histolytica	cysteine proteinase, putative	0.001	0.0031	0.1957
Schistosoma mansoni	flap endonuclease-1	0.0026	0.0138	0.1302
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0021	0.0106	0.6632
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0091	0.0506
Entamoeba histolytica	cysteine protease, putative	0.001	0.0031	0.1957
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.0184	0.1694
Schistosoma mansoni	cathepsin s	0.0006	0.0008	0.0073
Echinococcus granulosus	sphingosine 1 phosphate lyase 1	0.0011	0.0042	0.0348
Treponema pallidum	ATP-dependent DNA helicase	0.0005	0	0.5
Echinococcus granulosus	aromatic amino acid decarboxylase	0.0011	0.0042	0.0348
Trichomonas vaginalis	flap endonuclease-1, putative	0.0029	0.0156	0.0896
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0032	0.0782
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.001	0.0031	0.024
Plasmodium vivax	vivapain-3	0.001	0.0031	0.1415
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0091	0.0506
Onchocerca volvulus		0.0019	0.0091	0.025
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0033	0.0184	0.0305
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.0409	0.0369
Trypanosoma cruzi	cysteine peptidase, putative	0.0006	0.0008	0.0023
Leishmania major	cysteine peptidase A (CPA)	0.0019	0.0091	0.0809
Leishmania major	sphingosine 1-phosphate lyase	0.0011	0.0042	0.0348
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0051	0.0434
Entamoeba histolytica	cysteine protease, putative	0.001	0.0031	0.1957
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.001	0.0032	0.0045
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0067	0.0409	0.0688
Echinococcus granulosus	pyridoxal dependent decarboxylase	0.0011	0.0042	0.0348
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.0409	0.0369
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0439	0.4107
Schistosoma mansoni	sphingosine phosphate lyase	0.0011	0.0042	0.0397
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0093	0.0592
Echinococcus multilocularis	sterol regulatory element binding protein	0.0068	0.0417	0.0702
Entamoeba histolytica	cysteine protease, putative	0.001	0.0031	0.1957
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0042	0.0249
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.0165	0.1062	0.18
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0067	0.0409	0.3823
Trypanosoma brucei	cytochrome P450, putative	0.0014	0.0056	0.0483
Leishmania major	hypothetical protein, conserved	0.0011	0.0042	0.0348
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0019	0.0091	0.0809
Giardia lamblia	Flap structure-specific endonuclease	0.0029	0.0156	0.3182
Echinococcus multilocularis	cathepsin L	0.001	0.0031	0.0043
Echinococcus granulosus	cathepsin l1	0.0013	0.005	0.0421
Loa Loa (eye worm)	cysteine protease	0.0019	0.0091	0.0578
Plasmodium vivax	SET domain protein, putative	0.0033	0.0184	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0071	0.0439	0.4107
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.0165	0.1062	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0013	0.005	0.0301
Leishmania major	cathepsin L-like protease	0.0019	0.0091	0.0809
Plasmodium falciparum	flap endonuclease 1	0.0029	0.0156	1
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0029	0.0156	0.1431
Trypanosoma cruzi	hypothetical protein, conserved	0.0011	0.0042	0.0348
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0091	0.0506
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0029	0.0156	0.3825
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0091	0.0506
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.0091	0.5799
Trypanosoma brucei	sphingosine 1-phosphate lyase, putative	0.0011	0.0042	0.0348
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.005	0.0263
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0091	0.0578
Trypanosoma cruzi	major cysteine proteinase, putative	0.0056	0.0338	0.315
Entamoeba histolytica	cysteine protease, putative	0.001	0.0031	0.1957
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0417	0.279
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.001	0.0032	0.0045
Echinococcus multilocularis	Niemann Pick C1 protein	0.0068	0.0417	0.0702
Brugia malayi	glutamate decarboxylase, 67 kDa isoform	0.0011	0.0042	0.0249
Entamoeba histolytica	recQ family helicase, putative	0.0013	0.0051	0.327
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0019	0.0091	0.0506
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0033	0.0184	0.0305
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0032	0.0782
Onchocerca volvulus		0.026	0.1692	1
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0078	0.048	0.2816
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.0165	0.1062	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0091	0.0506
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.001	0.0031	0.024
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0439	0.4107
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.001	0.0031	0.0288
Entamoeba histolytica	exonuclease, putative	0.0006	0.0005	0.034
Entamoeba histolytica	exonuclease, putative	0.0006	0.0005	0.034
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0032	0.0176	0.1618
Plasmodium vivax	unspecified product	0.001	0.0031	0.1415
Echinococcus multilocularis	sphingosine 1 phosphate lyase 1	0.0011	0.0042	0.0063
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0078	0.048	0.2816
Brugia malayi	Cathepsin L-like precursor	0.0013	0.005	0.0301
Brugia malayi	Pre-SET motif family protein	0.0229	0.1483	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0019	0.0091	0.5651
Leishmania major	cathepsin L-like protease	0.0071	0.0439	0.4107
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0033	0.0184	0.4503
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0091	0.0506
Brugia malayi	Hydroxymethylglutaryl-coenzyme A reductase family protein	0.0165	0.1062	0.7149
Trypanosoma cruzi	sphingosine 1-phosphate lyase, putative	0.0011	0.0042	0.0348
Echinococcus multilocularis	cathepsin L cysteine protease	0.0019	0.0091	0.0146
Entamoeba histolytica	cysteine proteinase 2	0.001	0.0031	0.1957
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.001	0.0031	0.015
Leishmania major	cathepsin L-like protease	0.0019	0.0091	0.0809
Trypanosoma cruzi	Pyridoxal-dependent decarboxylase conserved domain containing protein, putative	0.0011	0.0042	0.0348
Schistosoma mansoni	blooms syndrome DNA helicase	0.0019	0.0092	0.0862
Leishmania major	cathepsin L-like protease	0.0019	0.0091	0.0809
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.0165	0.1062	0.1024
Echinococcus multilocularis	bloom syndrome protein	0.0024	0.0125	0.0204
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0184	0.1735
Brugia malayi	Cathepsin L-like precursor	0.0013	0.005	0.0301
Schistosoma mansoni	cathepsin F (C01 family)	0.0019	0.0091	0.0855
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0091	0.0506
Echinococcus granulosus	Protein patched homolog 1	0.0068	0.0417	0.3902
Trypanosoma cruzi	Pyridoxal-dependent decarboxylase conserved domain containing protein, putative	0.0011	0.0042	0.0348
Echinococcus granulosus	flap endonuclease 1	0.0029	0.0156	0.1431
Brugia malayi	Papain family cysteine protease containing protein	0.0019	0.0091	0.0578
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0091	0.0578
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0067	0.0409	0.3823
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0068	0.0417	0.3933
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0068	0.0417	0.279
Loa Loa (eye worm)	hypothetical protein	0.0013	0.005	0.0301
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0091	0.0506
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0439	0.4107
Trypanosoma cruzi	sphingosine 1-phosphate lyase, putative	0.0011	0.0042	0.0348
Entamoeba histolytica	cysteine proteinase, putative	0.001	0.0031	0.1957
Onchocerca volvulus		0.0033	0.0184	0.0819
Onchocerca volvulus		0.0019	0.0091	0.025
Brugia malayi	Papain family cysteine protease containing protein	0.001	0.0031	0.0171
Trichomonas vaginalis	DNA helicase recq, putative	0.0013	0.0051	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0008	0.0016
Echinococcus multilocularis	aromatic amino acid decarboxylase	0.0011	0.0042	0.0063
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.001	0.0031	0.0288
Echinococcus granulosus	bloom syndrome protein	0.0024	0.0125	0.1131
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0892	0.5874	1
Brugia malayi	CHE-14 protein	0.0068	0.0417	0.279
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0091	0.0506
Entamoeba histolytica	cysteine proteinase, putative	0.0013	0.005	0.3179
Leishmania major	cathepsin L-like protease	0.0019	0.0091	0.0809
Onchocerca volvulus	Cathepsin L homolog	0.0019	0.0091	0.025
Brugia malayi	Cathepsin L-like precursor	0.0006	0.0008	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0008	0.0016
Schistosoma mansoni	xp-G/rad2 DNA repair endonuclease family	0.0006	0.0005	0.005
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0091	0.0506
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0091	0.0578
Echinococcus multilocularis	pyridoxal dependent decarboxylase	0.0011	0.0042	0.0063
Plasmodium vivax	vivapain-1	0.001	0.0031	0.1415
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0439	0.4107
Plasmodium falciparum	cysteine proteinase falcipain 1	0.001	0.0031	0.1674
Loa Loa (eye worm)	flap endonuclease-1	0.0029	0.0156	0.1023
Entamoeba histolytica	cysteine protease, putative	0.001	0.0031	0.1957
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0006	0.0008	0.0016
Echinococcus granulosus	cysteine protease	0.001	0.0031	0.024
Trichomonas vaginalis	conserved hypothetical protein	0.0068	0.0417	0.2443
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0091	0.0506
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.0091	0.5799
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0078	0.048	0.2816

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.33 uM	In vitro inhibitory activity of the compound was measured against rat liver HMG-CoA reductase	ChEMBL.	2231596
IC50 (binding)	= 0.33 uM	In vitro inhibitory activity of the compound was measured against rat liver HMG-CoA reductase	ChEMBL.	2231596
Relative potency (binding)	= 0.0058	The compound was tested for the relative potency with respect to standard compound BMY-21,950	ChEMBL.	2231596
Relative potency (binding)	= 0.0058	The compound was tested for the relative potency with respect to standard compound BMY-21,950	ChEMBL.	2231596

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: CHEMBL419542

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 168708