Detailed information for compound 160719

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  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Obtained from network model

Ranking Plot

Putative Targets List

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

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

Bibliographic References

1 literature reference was collected for this gene.

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