Panobinostat hydrateProduct ingredient for Panobinostat
- Name
- Panobinostat hydrate
- 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
- DBSALT001984
- Structure
Structure for Panobinostat hydrate (DBSALT001984)
- Synonyms
- Not Available
- External IDs
- LBH-589 / LBH589
- UNII
- D07V79Q44T
- CAS Number
- Not Available
- Weight
- Average: 367.449
Monoisotopic: 367.189591677 - Chemical Formula
- C21H25N3O3
- InChI Key
- YUKVPQZUSANPNW-ASTDGNLGSA-N
- InChI
- InChI=1S/C21H23N3O2.H2O/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;/h2-11,22-23,26H,12-14H2,1H3,(H,24,25);1H2/b11-10+;
- IUPAC Name
- (2E)-N-hydroxy-3-[4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enamide hydrate
- SMILES
- O.CC1=C(CCNCC2=CC=C(\C=C\C(=O)NO)C=C2)C2=CC=CC=C2N1
- External Links
- ChemSpider
- 32699331
- Predicted Properties
Property Value Source Water Solubility 0.00198 mg/mL ALOGPS logP 3.16 ALOGPS logP 2.48 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 9.31 Chemaxon pKa (Strongest Basic) 9.95 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 77.15 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 105.5 m3·mol-1 Chemaxon Polarizability 38.96 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon