TDR Targets

Basic information

Technical information

TDR Targets ID: 160719
Name: propan-2-yl 2-(3-chloro-1,4-dioxonaphthalen-2 -yl)-3-oxobutanoate
MW: 334.751 | Formula: C17H15ClO5
H donors: 0 H acceptors: 4 LogP: 2.84 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC(OC(=O)C(C1=C(Cl)C(=O)c2c(C1=O)cccc2)C(=O)C)C
InChi: 1S/C17H15ClO5/c1-8(2)23-17(22)12(9(3)19)13-14(18)16(21)11-7-5-4-6-10(11)15(13)20/h4-8,12H,1-3H3
InChiKey: ADKJBFJUDQLWBR-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

isopropyl 2-(3-chloro-1,4-dioxo-2-naphthyl)-3-oxo-butanoate
2-(3-chloro-1,4-dioxo-2-naphthyl)-3-oxobutanoic acid isopropyl ester
propan-2-yl 2-(3-chloro-1,4-dioxo-naphthalen-2-yl)-3-oxo-butanoate
2-(3-chloro-1,4-diketo-2-naphthyl)-3-keto-butyric acid isopropyl ester
Methylethyl 2-(3-chloro-1,4-dioxo(2-naphthyl))-3-oxobutanoate
AIDS-109647
AIDS109647

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Human rhinovirus sp.	Human rhinovirus A protease	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	hypothetical protein	0.0175	0.2555	0.4731
Schistosoma mansoni	nuclear hormone receptor	0.0157	0.2214	0.2214
Schistosoma mansoni	nuclear hormone receptor	0.0332	0.5401	0.5401
Echinococcus granulosus	histone deacetylase 6	0.0038	0.0067	0.0067
Brugia malayi	steroid hormone receptor	0.0332	0.5401	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0332	0.5401	1
Brugia malayi	nuclear receptor NHR-88	0.0157	0.2214	0.4099
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0157	0.2214	0.2214
Echinococcus multilocularis	microtubule associated protein 2	0.0585	1	1
Echinococcus granulosus	histone deacetylase 7	0.0038	0.0067	0.0067
Schistosoma mansoni	microtubule-associated protein tau	0.0585	1	1
Echinococcus granulosus	histone deacetylase 3	0.0135	0.1816	0.1816
Brugia malayi	hypothetical protein	0.0157	0.2214	0.4099
Schistosoma mansoni	nuclear receptor	0.0157	0.2214	0.2214
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0332	0.5401	1
Echinococcus granulosus	histone deacetylase 6	0.0038	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0332	0.5401	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0332	0.5401	1
Brugia malayi	cytochrome P450	0.0083	0.0884	0.1637
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0091	0.1019	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0175	0.2555	0.2555
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0332	0.5401	0.5401
Schistosoma mansoni	nuclear receptor	0.0157	0.2214	0.2214
Schistosoma mansoni	histone deacetylase 4 5	0.0038	0.0067	0.0067
Brugia malayi	Histone deacetylase family protein	0.0038	0.0067	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0157	0.2214	0.4026
Mycobacterium leprae	putative cytochrome p450	0.0083	0.0884	0.5
Echinococcus multilocularis	histone deacetylase 6	0.0038	0.0067	0.0067
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0083	0.0884	0.5
Loa Loa (eye worm)	cytochrome P450	0.0083	0.0884	0.1533
Loa Loa (eye worm)	hypothetical protein	0.0157	0.2214	0.4026
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0332	0.5401	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0091	0.1019	0.1786
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0083	0.0884	0.5
Giardia lamblia	Histone deacetylase	0.0135	0.1816	0.5
Brugia malayi	histone deacetylase 1 (HD1)	0.0135	0.1816	0.3363
Brugia malayi	nuclear receptor RXR	0.0175	0.2555	0.4731
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0332	0.5401	0.5401
Brugia malayi	nuclear receptor NHR-88	0.0332	0.5401	1
Leishmania major	histone deacetylase, putative	0.0135	0.1816	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0332	0.5401	0.5401
Plasmodium falciparum	histone deacetylase 1	0.0135	0.1816	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0157	0.2214	0.2214
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0083	0.0884	0.4672
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0332	0.5401	1
Echinococcus granulosus	histone deacetylase	0.0038	0.0067	0.0067
Brugia malayi	histone deacetylase 3 (HD3)	0.0135	0.1816	0.3363
Schistosoma mansoni	hypothetical protein	0.0083	0.0884	0.0884
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0083	0.0884	0.5
Loa Loa (eye worm)	hypothetical protein	0.0332	0.5401	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0175	0.2555	0.2555
Echinococcus granulosus	cytochrome P450 2K1	0.0083	0.0884	0.0884
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0332	0.5401	1
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2555	0.4665
Echinococcus multilocularis	nuclear receptor nhr 48	0.0157	0.2214	0.2214
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0083	0.0884	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0332	0.5401	1
Schistosoma mansoni	histone deacetylase	0.0135	0.1816	0.1816
Brugia malayi	Nuclear hormone receptor E75	0.0157	0.2214	0.4099
Brugia malayi	Nuclear hormone receptor-like 1	0.0175	0.2555	0.4731
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0083	0.0884	0.5
Brugia malayi	histone deacetylase 11	0.0038	0.0067	0.0123
Schistosoma mansoni	histone deacetylase hda2	0.0038	0.0067	0.0067
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0332	0.5401	1
Brugia malayi	ecdysone receptor	0.0157	0.2214	0.4099
Schistosoma mansoni	histone deacetylase 1 2 3	0.0038	0.0067	0.0067
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0157	0.2214	0.4026
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0157	0.2214	0.2214
Onchocerca volvulus	Bile acid receptor homolog	0.0332	0.5401	1
Trypanosoma cruzi	histone deacetylase 1, putative	0.0135	0.1816	1
Brugia malayi	Steroid receptor seven-up type 2	0.0332	0.5401	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0175	0.2555	0.2555
Schistosoma mansoni	coup transcription factor	0.0332	0.5401	0.5401
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0157	0.2214	0.2214
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0332	0.5401	0.5401
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0332	0.5401	0.5401
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0332	0.5401	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0157	0.2214	0.4026
Toxoplasma gondii	histone deacetylase HDAC3	0.0135	0.1816	1
Schistosoma mansoni	histone deacetylase	0.0135	0.1816	0.1816
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0135	0.1816	0.5
Schistosoma mansoni	histone deacetylase hda2	0.0038	0.0067	0.0067
Brugia malayi	nuclear receptor RXR	0.0157	0.2214	0.4099
Loa Loa (eye worm)	hypothetical protein	0.0332	0.5401	1
Trypanosoma cruzi	histone deacetylase 1, putative	0.0135	0.1816	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0157	0.2214	0.2214
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0083	0.0884	0.5
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0157	0.2214	0.2214
Loa Loa (eye worm)	hypothetical protein	0.0332	0.5401	1
Brugia malayi	nuclear hormone receptor	0.0332	0.5401	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0332	0.5401	0.5401
Echinococcus granulosus	histone deacetylase 8	0.0038	0.0067	0.0067
Plasmodium vivax	histone deacetylase 1, putative	0.0135	0.1816	1
Brugia malayi	Histone deacetylase family protein	0.0038	0.0067	0.0123
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0332	0.5401	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0332	0.5401	1
Brugia malayi	nuclear hormone receptor	0.0157	0.2214	0.4099
Brugia malayi	orphan nuclear receptor NR2E1	0.0157	0.2214	0.4099
Loa Loa (eye worm)	hypothetical protein	0.0332	0.5401	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0175	0.2555	0.4665
Schistosoma mansoni	cytochrome P450	0.0083	0.0884	0.0884
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0157	0.2214	0.4099
Schistosoma mansoni	histone deacetylase 4 5	0.0038	0.0067	0.0067
Brugia malayi	photoreceptor-specific nuclear receptor	0.0332	0.5401	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0175	0.2555	0.4731
Trichomonas vaginalis	histone deacetylase, putative	0.0135	0.1816	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0332	0.5401	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0091	0.1019	0.1786
Loa Loa (eye worm)	hypothetical protein	0.0157	0.2214	0.4026
Leishmania major	histone deacetylase, putative	0.0135	0.1816	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0157	0.2214	0.2214
Brugia malayi	tailless protein	0.0157	0.2214	0.4099
Trichomonas vaginalis	histone deacetylase, putative	0.0135	0.1816	0.5
Loa Loa (eye worm)	CYP4Cod1	0.0091	0.1019	0.1786
Brugia malayi	nuclear receptor NHR-67	0.0157	0.2214	0.4099
Onchocerca volvulus		0.0157	0.2214	0.4026
Brugia malayi	nuclear hormone receptor family member odr-7	0.0157	0.2214	0.4099
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0332	0.5401	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0332	0.5401	0.5401
Onchocerca volvulus		0.0157	0.2214	0.4026
Schistosoma mansoni	nuclear receptor nhr-48	0.0157	0.2214	0.2214
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0332	0.5401	0.5401
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0332	0.5401	0.5401
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0083	0.0884	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0332	0.5401	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0157	0.2214	0.4026
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0083	0.0884	0.4672
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0083	0.0884	0.5
Entamoeba histolytica	histone deacetylase, putative	0.0135	0.1816	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0332	0.5401	0.5401
Echinococcus granulosus	histone deacetylase 1	0.0135	0.1816	0.1816
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0083	0.0884	0.5
Echinococcus multilocularis	FTZ F1 alpha	0.0332	0.5401	0.5401
Mycobacterium leprae	Conserved hypothetical protein	0.0083	0.0884	0.5
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0135	0.1816	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0332	0.5401	0.5401
Echinococcus multilocularis	histone deacetylase 3	0.0135	0.1816	0.1816
Trypanosoma cruzi	cytochrome P450, putative	0.0091	0.1019	0.5444
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0332	0.5401	1
Leishmania major	cytochrome p450-like protein	0.0083	0.0884	0.4672
Brugia malayi	Cytochrome P450 family protein	0.0083	0.0884	0.1637
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0083	0.0884	0.5
Schistosoma mansoni	retinoic acid receptor RXR	0.0332	0.5401	0.5401
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0083	0.0884	0.5
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0332	0.5401	0.5401
Echinococcus granulosus	FTZ F1 alpha	0.0332	0.5401	0.5401
Echinococcus multilocularis	histone deacetylase 1	0.0135	0.1816	0.1816
Loa Loa (eye worm)	nuclear hormone receptor	0.0157	0.2214	0.4026
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0157	0.2214	0.4099
Loa Loa (eye worm)	hypothetical protein	0.0332	0.5401	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0157	0.2214	0.4026
Loa Loa (eye worm)	DR-78	0.0157	0.2214	0.4026
Trichomonas vaginalis	histone deacetylase, putative	0.0135	0.1816	0.5
Brugia malayi	hypothetical protein	0.0157	0.2214	0.4099
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0332	0.5401	0.5401
Trypanosoma cruzi	cytochrome P450, putative	0.0091	0.1019	0.5444
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0332	0.5401	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0157	0.2214	0.2214
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0332	0.5401	0.5401
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0083	0.0884	0.5
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2555	0.4665
Onchocerca volvulus	Protein ultraspiracle homolog	0.0332	0.5401	1
Trypanosoma brucei	histone deacetylase 1	0.0135	0.1816	1
Brugia malayi	hypothetical protein	0.0175	0.2555	0.4731
Loa Loa (eye worm)	hypothetical protein	0.0157	0.2214	0.4026
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0332	0.5401	1
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2555	0.4665
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0332	0.5401	0.5401
Loa Loa (eye worm)	hypothetical protein	0.0157	0.2214	0.4026
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0135	0.1816	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0083	0.0884	0.5
Echinococcus multilocularis	histone deacetylase 8	0.0038	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0157	0.2214	0.4026
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0157	0.2214	0.2214
Loa Loa (eye worm)	cytochrome P450 family protein	0.0083	0.0884	0.1533
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0083	0.0884	0.4672
Loa Loa (eye worm)	histone deacetylase 3	0.0135	0.1816	0.328
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0083	0.0884	0.4672
Schistosoma mansoni	zinc finger protein	0.0157	0.2214	0.2214
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0083	0.0884	0.4672
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0083	0.0884	0.5
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0157	0.2214	0.2214
Brugia malayi	Nuclear hormone receptor-like 1	0.0332	0.5401	1
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0083	0.0884	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0332	0.5401	0.5401
Brugia malayi	ecdysteroid receptor	0.0332	0.5401	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0332	0.5401	1
Echinococcus granulosus	histone deacetylase 6	0.0038	0.0067	0.0067
Brugia malayi	Cytochrome P450 family protein	0.0083	0.0884	0.1637
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0157	0.2214	0.2214
Echinococcus multilocularis	histone deacetylase 7	0.0038	0.0067	0.0067
Echinococcus multilocularis		0.0083	0.0884	0.0884
Trypanosoma brucei	cytochrome P450, putative	0.0091	0.1019	0.5444
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0175	0.2555	0.2555
Leishmania major	cytochrome p450-like protein	0.0091	0.1019	0.5444
Echinococcus multilocularis	ecdysone induced protein 78C	0.0332	0.5401	0.5401
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0083	0.0884	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0083	0.0884	0.5
Loa Loa (eye worm)	hypothetical protein	0.0157	0.2214	0.4026
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2555	0.4665
Loa Loa (eye worm)	hypothetical protein	0.0332	0.5401	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0157	0.2214	0.2214
Echinococcus granulosus	ecdysone induced protein 78C	0.0332	0.5401	0.5401
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0332	0.5401	0.5401
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0332	0.5401	0.5401
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0332	0.5401	1
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0083	0.0884	0.5
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0332	0.5401	0.5401
Trichomonas vaginalis	histone deacetylase, putative	0.0135	0.1816	0.5
Loa Loa (eye worm)	hypothetical protein	0.0157	0.2214	0.4026
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0332	0.5401	1
Loa Loa (eye worm)	hypothetical protein	0.0157	0.2214	0.4026
Echinococcus multilocularis	histone deacetylase	0.0038	0.0067	0.0067
Brugia malayi	Histone deacetylase 1	0.0135	0.1816	0.3363
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0332	0.5401	0.5401
Trichomonas vaginalis	histone deacetylase, putative	0.0135	0.1816	0.5
Loa Loa (eye worm)	hypothetical protein	0.0332	0.5401	1
Loa Loa (eye worm)	hypothetical protein	0.0135	0.1816	0.328
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0332	0.5401	1
Loa Loa (eye worm)	hypothetical protein	0.0157	0.2214	0.4026
Brugia malayi	Cytochrome P450 family protein	0.0091	0.1019	0.1887
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0083	0.0884	0.5
Loa Loa (eye worm)	hypothetical protein	0.0157	0.2214	0.4026
Loa Loa (eye worm)	histone deacetylase 1	0.0135	0.1816	0.328
Schistosoma mansoni	RAR-like nuclear receptor	0.0332	0.5401	0.5401
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2555	0.4665
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0083	0.0884	0.4672
Leishmania major	cytochrome p450-like protein	0.0083	0.0884	0.4672
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0332	0.5401	0.5401
Loa Loa (eye worm)	steroid hormone receptor	0.0332	0.5401	1
Loa Loa (eye worm)	hypothetical protein	0.0157	0.2214	0.4026
Brugia malayi	conserved hypotetical protein	0.0157	0.2214	0.4099
Brugia malayi	Cytochrome P450 family protein	0.0091	0.1019	0.1887
Onchocerca volvulus		0.0332	0.5401	1
Toxoplasma gondii	histone deacetylase HDAC2	0.0135	0.1816	1
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0083	0.0884	0.5
Echinococcus multilocularis	histone deacetylase 6	0.0038	0.0067	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0157	0.2214	0.4026
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0332	0.5401	0.5401
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0332	0.5401	0.5401
Trichomonas vaginalis	histone deacetylase, putative	0.0135	0.1816	0.5
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0157	0.2214	0.2214
Echinococcus multilocularis	histone deacetylase 6	0.0038	0.0067	0.0067
Brugia malayi	Nuclear hormone receptor E75	0.0157	0.2214	0.4099
Schistosoma mansoni	nuclear hormone receptor	0.0157	0.2214	0.2214

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2.68 uM	Inhibitory activity against HCMV protease by SPA assay	ChEMBL.	10522707
IC50 (binding)	= 2.68 uM	Inhibitory activity against HCMV protease by SPA assay	ChEMBL.	10522707
IC50 (binding)	= 9.1 uM	Inhibitory activity against HCMV protease by HPLC assay	ChEMBL.	10522707
IC50 (binding)	= 9.1 uM	Inhibitory activity against HCMV protease by HPLC assay	ChEMBL.	10522707
IC50 (functional)	= 13 uM	Inhibitory activity against HCMV in a plaque assay(strain in MRC-5 cells)	ChEMBL.	10522707
IC50 (functional)	= 13 uM	Inhibitory activity against HCMV in a plaque assay(strain in MRC-5 cells)	ChEMBL.	10522707

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	10522707

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: CHEMBL95798
PubChem: 487111

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 160719