Abexinostat
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
Molecular Identity
Abexinostat
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
PubChem CID: 11749858
Abexinostat is a 1-benzofuran substituted by {2-[4-(hydroxycarbamoyl)phenoxy]ethyl}aminocarbonyl and (dimethylamino)methyl groups at positions 2 and 3, respectively. It is a potent pan-HDAC inhibitor whose major target is HDAC1 (Ki = 7 nM). It has a role as a radiosensitizing agent, an autophagy inducer, an antineoplastic agent, an EC 3.5.1.98 (histone deacetylase) inhibitor and an apoptosis inducer. It is a secondary carboxamide, a hydroxamic acid, an aromatic ether, a member of 1-benzofurans and a tertiary amino compound.
2D Structure
Properties
C21H23N3O5
Molecular Formula
397.40
Molecular Weight
g/mol
397.1638
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
104
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
550
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)NOIsomeric SMILES
SMILES: CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)NOSynonyms(20)
ABEXINOSTAT783355-60-2PCI-24781PCI 24781CRA-024781CRA 024781CRA 24781PCI24781CRA024781IYO470654U3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoyl)phenoxy]ethyl}-1-benzofuran-2-carboxamidePZP115891S78454PZP-115891DTXSID30229005
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Abexinostat
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