Compound: ABEXINOSTAT
SMILES: O=C(NO)c1ccc(OCCNC(=O)c2oc3ccccc3c2CN(C)C)cc1
InChIKey: MAUCONCHVWBMHK-UHFFFAOYSA-N
Synonyms: ABEXINOSTAT, 783355-60-2, PCI-24781, PCI 24781, CRA-024781, CRA 024781, CRA 24781, PCI24781, CRA024781, IYO470654U, PZP115891, S78454, PZP-115891, 3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoyl)phenoxy]ethyl}-1-benzofuran-2-carboxamide, DTXSID30229005, S-78454, 2-Benzofurancarboxamide, 3-((dimethylamino)methyl)-N-(2-(4-((hydroxyamino)carbonyl)phenoxy)ethyl)-, 3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide, 3-((DIMETHYLAMINO)METHYL)-N-(2-(4-(HYDROXYCARBAMOYL)PHENOXY)ETHYL)-1-BENZOFURAN-2-CARBOXAMIDE, abexinostatum, RefChem:108498, HDAC Inhibitor PCI-24781, DTXCID10151496, CRA-02478, 3-((dimethylamino)methyl)-N-(2-(4-(hydroxycarbamoyl)phenoxy)ethyl)benzofuran-2-carboxamide, Abexinostat (PCI-24781), PCI-24781 (Abexinostat), Abexinostat [USAN], 3-((Dimethylamino)methyl)-N-(2-(4-(hydroxycarbamoyl)-phenoxy)ethyl)benzofuran-2-carboxamide, Abexinostat (USAN), 3-(dimethylaminomethyl)-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide, 3-[(Dimethylamino)methyl]-N-[2-[4-[(hydroxyamino)carbonyl]phenoxy]ethyl]-2-benzofurancarboxamide, Abexinostat [USAN:INN], UNII-IYO470654U, 3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]benzofuran-2-carboxamide, MFCD10565969, ABEXINOSTAT [INN], Abexinostat(PCI-24781), ABEXINOSTAT [WHO-DD], MLS006011097, SCHEMBL444280, GTPL8366, orb1310623, CHEMBL2103863, SCHEMBL29489677, BDBM24622, CHEBI:92223, MAUCONCHVWBMHK-UHFFFAOYSA-N, GLXC-90397, HMS3654A19, EX-A2123, CRA-24781, EBC-07181, FD5037, NSC764136, AKOS025149423, CCG-264814, CS-0478, DB12565, FP26773, NSC-764136, SB16670, NCGC00346486-01, NCGC00346486-05, NCGC00346486-07, AC-26866, BP-40063, BS-18153, HY-10990, SMR004702885, Abexinostat (PCI24781; CRA024781), DB-075461, PCI-24781,CRA-024781, NS00070333, SW218266-2, D10060, EN300-204651, Q4667249, BRD-K12867552-001-01-3, BRD-K12867552-001-04-7
Theoretical properties:
molecular_formula: C21H23N3O5
molecular_weight: 397.4 g/mol
exact_mass: 397.16377084 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 8
heavy_atom_count: 29
topological_polar_surface_area: 104 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 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.
chebi: 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).
chembl: ABEXINOSTAT is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
wikipedia: Abexinostat (INN, formerly PCI-24781) is an experimental drug candidate for cancer treatment.  It was developed by Pharmacyclics and licensed to Xynomic. As of 2013, it was in Phase II clinical trials for B-cell lymphoma.  Pre-clinical study suggests the potential for treatment of different types of cancer as well.
Abexinostat exerts its effect as a pan-histone deacetylase inhibitor and inhibits RAD51, which is involved in repairing DNA double strand breaks.