scriptaid   Click here for help

GtoPdb Ligand ID: 7505

Synonyms: GNF-Pf-2024 | scriptide
Compound class: Synthetic organic
Comment: Scriptaid is a potent inhibitor of HDACs 1, 2, 3 and 6 [2], with lower potencies for other Class I and II HDACs [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 88.4
Molecular weight 326.13
XLogP 3.26
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES ONC(=O)CCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3
Isomeric SMILES ONC(=O)CCCCCn1c(=O)c2cccc3c2c(c1=O)ccc3
InChI InChI=1S/C18H18N2O4/c21-15(19-24)10-2-1-3-11-20-17(22)13-8-4-6-12-7-5-9-14(16(12)13)18(20)23/h4-9,24H,1-3,10-11H2,(H,19,21)
InChI Key JTDYUFSDZATMKU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide
Synonyms Click here for help
GNF-Pf-2024 | scriptide
Database Links Click here for help
CAS Registry No. 287383-59-9
ChEMBL Ligand CHEMBL96051
GtoPdb PubChem SID 187051807
PubChem CID 5186
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UniChem Connectivity Search for chemical match using the InChIKey JTDYUFSDZATMKU-UHFFFAOYSA-N

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Tocris
Scriptaid
Cat. No. 2421