Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1234)
Drug Name
Panobinostat lactate
Synonyms
Panobinostat lactate; Panobinostat lactate (JAN); Panobinostat lactate [JAN]; SB16465; SCHEMBL2315056; SCHEMBL2315067; XVDWNSFFSMWXJJ-ASTDGNLGSA-N; 960055-56-5; BCP25197; CHEBI:85991; CHEMBL3545368; EX-A2659; Propanoic acid, 2-hydroxy-, compd. with (2E)-N-hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)-2-propenamide (1:1); Propanoic acid, 2-hydroxy-, compd. with (2E)-N-hydroxy-3-[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-2-propenamide (1:1)
Indication Multiple myeloma [ICD11: 2A83] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 439.5 Topological Polar Surface Area 135
Heavy Atom Count 32 Rotatable Bond Count 8
Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
23725423
ChEBI ID
CHEBI:85991
CAS Number
960055-56-5
TTD Drug ID
D0E3SH
Formula
C24H29N3O5
Canonical SMILES
CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)C=CC(=O)NO.CC(C(=O)O)O
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+;
InChIKey
XVDWNSFFSMWXJJ-ASTDGNLGSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Panobinostat lactate metabolite M1 DM001168 N. A. Unclear 1 [2]
Panobinostat lactate metabolite M4 DM001166
24888322
Unclear 1 [2]
Panobinostat lactate metabolite M5 DM001170
22051600
Unclear 1 [2]
Panobinostat lactate metabolite M6 DM001163
118753342
Unclear 1 [2]
Panobinostat lactate metabolite M2 DM001167 N. A. Unclear 2 [2]
Panobinostat lactate metabolite M3 DM001169 N. A. Unclear 2 [2]
Panobinostat lactate metabolite M7 DM001164
118753189
Unclear 2 [2]
Panobinostat lactate metabolite M8 DM001165 N. A. Unclear 3 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001934 Panobinostat lactate Panobinostat lactate metabolite M6 Unclear Unclear [2]
MR001935 Panobinostat lactate Panobinostat lactate metabolite M4 Unclear Unclear [2]
MR001936 Panobinostat lactate Panobinostat lactate metabolite M1 Unclear Unclear [2]
MR001937 Panobinostat lactate Panobinostat lactate metabolite M5 Unclear CYP3A4 ... [2]
MR001931 Panobinostat lactate metabolite M1 Panobinostat lactate metabolite M7 Unclear Unclear [2]
MR001932 Panobinostat lactate metabolite M1 Panobinostat lactate metabolite M2 Unclear Unclear [2]
MR001933 Panobinostat lactate metabolite M1 Panobinostat lactate metabolite M3 Unclear Unclear [2]
MR001928 Panobinostat lactate metabolite M4 Panobinostat lactate metabolite M7 Unclear Unclear [2]
MR001929 Panobinostat lactate metabolite M4 Panobinostat lactate metabolite M2 Unclear Unclear [2]
MR001926 Panobinostat lactate metabolite M6 Panobinostat lactate metabolite M7 Unclear Unclear [2]
MR001930 Panobinostat lactate metabolite M2 Panobinostat lactate metabolite M8 Unclear Unclear [2]
MR001927 Panobinostat lactate metabolite M7 Panobinostat lactate metabolite M8 Unclear Unclear [2]
⏷ Show the Full List of 12 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Romidepsin was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Biocatalytic synthesis and structure elucidation of cyclized metabolites of the deacetylase inhibitor panobinostat (LBH589) Drug Metab Dispos. 2012 May;40(5):1041-50. doi: 10.1124/dmd.111.043620.

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