Panobinostat
(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
Molecular Identity
Panobinostat
(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
PubChem CID: 6918837
Panobinostat is a hydroxamic acid obtained by formal condensation of the carboxy group of (2E)-3-[4-({[2-(2-methylindol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enoic acid with the amino group of hydroxylamine. A histone deacetylase inhibitor used (as its lactate salt) in combination with bortezomib and dexamethasone for the treatment of multiple myeloma. It has a role as an antineoplastic agent, an angiogenesis modulating agent and an EC 3.5.1.98 (histone deacetylase) inhibitor. It is a member of cinnamamides, a hydroxamic acid, a methylindole and a secondary amino compound. It is a conjugate base of a panobinostat(1+).
2D Structure
Properties
C21H23N3O2
Molecular Formula
349.40
Molecular Weight
g/mol
349.1790
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
77.2
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
3
H-Bond Acceptors
474
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Panobinostat404950-80-7LBH-589FaridakLBH 589(2E)-N-hydroxy-3-[4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enamide9647FM7Y3Z(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamideCHEBI:85990DTXSID401935062-Propenamide, N-hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)-, (2E)-NVP-LBH5892-Propenamide, N-hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino) methyl)phenyl)-, (2E)-Panobinostatum(E)-N-hydroxy-3-(4-((2-(2-methyl-1H-indol-3-yl)ethylamino)methyl)phenyl)prop-2-enamide
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Panobinostat
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