General Information of the Compound
| Compound ID |
CP0014148
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Synonyms |
HDAC 8 inhibitors (cancer/inflammation)
HDAC 8 inhibitors (cancer/inflammation), Pharmacyclics
PCI-34051
PCI-34259
PCI-34260
PCI-40505
PCI-43744
PCI-45159
PCI-47634
PCI-48000
PCI-48001
PCI-48002
PCI-48003
PCI-48004
PCI-48006
PCI-48007
PCI-48008
PCI-48009
PCI-48010
PCI-48011
PCI-48012
PCI-48013
PCI-48018
PCI-48036
PCI-48039
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16N2O3
|
||||||||||||||||||
| Molecular Weight |
296.326
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AJRGHIGYPXNABY-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00835, Histone deacetylase 2
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01443, Polyamine deacetylase HDAC10
Clinical Information about the Compound