General Information of the Compound
| Compound ID |
CP0013233
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| Compound Name |
7-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl]-N-hydroxyheptanamide
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| Structure |
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| Formula |
C21H28N8O3
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| Molecular Weight |
440.508
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| Canonical SMILES |
Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
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| InChI |
InChI=1S/C21H28N8O3/c22-21-23-13-15(14-24-21)18-25-19-16(20(26-18)29-9-11-32-12-10-29)6-8-28(19)7-4-2-1-3-5-17(30)27-31/h6,8,13-14,31H,1-5,7,9-12H2,(H,27,30)(H2,22,23,24)
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| InChIKey |
YLDAIYDYJXZDGW-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 | |
| CL000178 | SU-DHL-6 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 250 nM
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TI
LI
LO
TS
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