General Information of the Compound
| Compound ID |
CP0013085
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| Compound Name |
N-hydroxy-7-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpurin-9-yl]heptanamide
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| Structure |
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| Formula |
C23H30N6O4
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| Molecular Weight |
454.531
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| Canonical SMILES |
OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
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| InChI |
InChI=1S/C23H30N6O4/c30-15-17-6-5-7-18(14-17)21-25-22(28-10-12-33-13-11-28)20-23(26-21)29(16-24-20)9-4-2-1-3-8-19(31)27-32/h5-7,14,16,30,32H,1-4,8-13,15H2,(H,27,31)
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| InChIKey |
JBFFDSGEOZGWCK-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: PT00994, Histone deacetylase 4
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01807, Histone deacetylase 7
Protein ID: PT01499, Histone deacetylase 8
Protein ID: PT01946, Histone deacetylase 9
Protein ID: PT01443, Polyamine deacetylase HDAC10
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000063 | Hep-G2 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 590 nM
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TI
LI
LO
TS
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| CL000274 | SK-HEP-1 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 790 nM
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TI
LI
LO
TS
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