General Information of the Compound
Compound ID
CP0562872
Compound Name
N-hydroxy-4-[[3-(2-hydroxyethyl)indol-1-yl]methyl]benzamide
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Structure
Formula
C18H18N2O3
Molecular Weight
310.353
Canonical SMILES
OCCc1cn(Cc2ccc(cc2)C(=O)NO)c2ccccc12
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InChI
InChI=1S/C18H18N2O3/c21-10-9-15-12-20(17-4-2-1-3-16(15)17)11-13-5-7-14(8-6-13)18(22)19-23/h1-8,12,21,23H,9-11H2,(H,19,22)
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InChIKey
ACXGELCLQKZFMQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.3434
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
74.49
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
23

"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).

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PubChem ID
CID: 146676960
ChEMBL ID
CHEMBL4466930
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: PT01213, Histone deacetylase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 31.62 nM
   TI
   LI
   LO
   TS
Protein ID: PT01443, Polyamine deacetylase HDAC10
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 199.53 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 79.43 nM