General Information of the Compound
| Compound ID |
CP0926275
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| Compound Name |
3-(2-Ethoxyquinolin-6-yl)-1-((1-methylpiperidin-4-yl)-methyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C23H27N7O
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| Molecular Weight |
417.517
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| Canonical SMILES |
CCOc1ccc2cc(-c3nn(CC4CCN(C)CC4)c4ncnc(N)c34)ccc2n1
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| InChI |
InChI=1S/C23H27N7O/c1-3-31-19-7-5-16-12-17(4-6-18(16)27-19)21-20-22(24)25-14-26-23(20)30(28-21)13-15-8-10-29(2)11-9-15/h4-7,12,14-15H,3,8-11,13H2,1-2H3,(H2,24,25,26)
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| InChIKey |
AWJAAKKEYXUCFY-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: PT01096, Serine/threonine-protein kinase D1
Protein ID: PT00953, Serine/threonine-protein kinase D2
Protein ID: PT01060, Serine/threonine-protein kinase D3
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000067 | HCT 116 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 55200 nM
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TI
LI
LO
TS
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| CL000145 | NCI-H460 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 100000 nM
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TI
LI
LO
TS
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