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

General Information of Drug (ID: DR1232)
Drug Name
Palonosetron hydrochloride
Synonyms
Palonosetron (Hydrochloride); Palonosetron hydrochloride; RS 25259-197; RS-25259-197; (3aS)-2-(3S)-1-Azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one monohydrochloride; (3aS)-2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3a,4,5,6-tetrahydro-3H-benzo[de]isoquinolin-1-one hydrochloride; (S,S)-Palonosetron Hydrochloride; 135729-62-3; 23310D4I19; CAS-135729-62-3; CHEBI:85157; DSSTox_CID_26610; DSSTox_GSID_46610; DSSTox_RID_81765; UNII-1J5X5HPB4C; UNII-23310D4I19; Onicit; PALONOSETRON HCl
Indication Functional nausea/vomiting [ICD11: DD90] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 332.9 Topological Polar Surface Area 23.6
Heavy Atom Count 23 Rotatable Bond Count 1
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
6918303
ChEBI ID
CHEBI:85157
CAS Number
135729-62-3
TTD Drug ID
D04FVU
Formula
C19H25ClN2O
Canonical SMILES
C1CC2CN(C(=O)C3=CC=CC(=C23)C1)C4CN5CCC4CC5.Cl
InChI
1S/C19H24N2O.ClH/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20;/h2,4,6,13,15,17H,1,3,5,7-12H2;1H/t15-,17-;/m1./s1
InChIKey
OLDRWYVIKMSFFB-SSPJITILSA-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
Palonosetron metabolite M4 DM001161
22858927
Oxidation - Hydroxylation 1 [3]
Palonosetron metabolite M6 DM019932 N. A. Unclear 1 [3]
Palonosetron metabolite M9 DM001162
46782681
Oxidation - N-Oxidation 1 [3]
Palonosetron metabolite M5 DM019931 N. A. Unclear 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002864 Palonosetron hydrochloride Palonosetron metabolite M4 Oxidation - Hydroxylation CYP3A4 ... [3]
MR002865 Palonosetron hydrochloride Palonosetron metabolite M9 Oxidation - N-Oxidation CYP3A4 ... [3]
MR002866 Palonosetron hydrochloride Palonosetron metabolite M6 Unclear Unclear [3]
MR002867 Palonosetron metabolite M9 Palonosetron metabolite M5 Unclear Unclear [3]
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
[3]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[3]
References
1 Palonosetron Hydrochloride was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Cytochrome P450 2D6 metabolism and 5-hydroxytryptamine type 3 receptor antagonists for postoperative nausea and vomiting. Med Sci Monit. 2005 Oct;11(10):RA322-8.
3 Pharmacokinetics, metabolism and excretion of intravenous [l4C]-palonosetron in healthy human volunteers Biopharm Drug Dispos. 2004 Nov;25(8):329-37. doi: 10.1002/bdd.410.

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