General Information of the Compound
| Compound ID |
CP0875931
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| Compound Name |
4-((2-Ethyl-4-oxo-3-phenethyl-3,4-dihydroquinazolin-6-yl)-methyl)-N-hydroxybenzamide
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| Synonyms |
PMID29671355-Compound-13
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| Structure |
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| Formula |
C26H25N3O3
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| Molecular Weight |
427.504
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| Canonical SMILES |
CCc1nc2ccc(Cc3ccc(C(=O)NO)cc3)cc2c(=O)n1CCc1ccccc1
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| InChI |
InChI=1S/C26H25N3O3/c1-2-24-27-23-13-10-20(16-19-8-11-21(12-9-19)25(30)28-32)17-22(23)26(31)29(24)15-14-18-6-4-3-5-7-18/h3-13,17,32H,2,14-16H2,1H3,(H,28,30)
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| InChIKey |
VLBQAJZSHGGUBQ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT02410, Histone deacetylase 11
Protein ID: PT00835, Histone deacetylase 2
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000004 | SH-SY5Y | Homo sapiens (Human) | 1 |
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EC50 = 18400 nM
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Clinical Information about the Compound