Panobinostat lactateProduct ingredient for Panobinostat

Name
Panobinostat lactate
Drug Entry
Panobinostat

Panobinostat is an oral deacetylace (DAC) inhibitor approved on February 23, 2015 by the FDA for the treatment of multiple myeloma. The approval was accelerated based on progression-free survival, therefore confirmatory trials by the sponsor to demonstrate clinical efficacy in multiple myeloma treatment are in progress of being conducted. Panobinostat is marketed by Novartis under the brand name Farydak. Panobinostat acts as a non-selective histone deacetylase inhibitor (pan-HDAC inhibitor) and it is the most potent DAC inhibiting agent available on the market.

Accession Number
DBSALT001103
Structure
Synonyms
Panobinostat lactate / Panobinostat lactate anhydrous / Panobinostat lactate, anhydrous
UNII
HN0T99OO4V
CAS Number
960055-56-5
Weight
Average: 439.512
Monoisotopic: 439.210721046
Chemical Formula
C24H29N3O5
InChI Key
XVDWNSFFSMWXJJ-ASTDGNLGSA-N
InChI
InChI=1S/C21H23N3O2.C3H6O3/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26;1-2(4)3(5)6/h2-11,22-23,26H,12-14H2,1H3,(H,24,25);2,4H,1H3,(H,5,6)/b11-10+;
IUPAC Name
(2E)-N-hydroxy-3-[4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enamide; 2-hydroxypropanoic acid
SMILES
CC(O)C(O)=O.CC1=C(CCNCC2=CC=C(\C=C\C(=O)NO)C=C2)C2=CC=CC=C2N1
KEGG Drug
D10019
ChemSpider
30790861
ChEBI
85991
ChEMBL
CHEMBL3545368
Wikipedia
Panobinostat
Predicted Properties
PropertyValueSource
Water Solubility0.00198 mg/mLALOGPS
logP3.16ALOGPS
logP2.48Chemaxon
logS-5.2ALOGPS
pKa (Strongest Acidic)9.31Chemaxon
pKa (Strongest Basic)9.95Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area77.15 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity105.5 m3·mol-1Chemaxon
Polarizability38.96 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon