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

General Information of Drug (ID: DR5755)
Drug Name
Tandospirone
Synonyms Sediel (TN)
Indication Anxiety disorder [ICD11: 6B00-6B0Z] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 383.5 Topological Polar Surface Area 69.6
Heavy Atom Count 28 Rotatable Bond Count 6
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
91273
ChEBI ID
CHEBI:145673
CAS Number
87760-53-0
TTD Drug ID
D06OSM
Formula
C21H29N5O2
Canonical SMILES
C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5
InChI
InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-
InChIKey
CEIJFEGBUDEYSX-FZDBZEDMSA-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
PF-00734200 metabolite M3 DM000702
88747
Oxidation - Oxidative cleavage 1 [3] , [2]
Tandospirone metabolite M2 DM017503 N. A. Oxidation - Hydroxylation 1 [2]
Tandospirone metabolite M4 DM017505 N. A. Oxidation - Hydroxylation 1 [2]
Tandospirone metabolite Ma DM017501 N. A. Unclear - Unclear 1 [2]
5-OH-1-PP DM016064
34180809
Unclear - Unclear 2 [2]
Tandospirone metabolite M5 DM017504 N. A. Unclear - Unclear 2 [2]
Tandospirone metabolite Mb DM017502 N. A. Unclear - Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008816 Tandospirone 1\(2\pyrimidinyl)\piperazine (1\PP) Oxidation - Oxidative cleavage CYP2D6 ... [3], [2]
MR008818 Tandospirone Tandospirone metabolite Ma Unclear - Unclear CYP2D6 ... [2]
MR008820 Tandospirone Tandospirone metabolite M2 Oxidation - Hydroxylation CYP2D6 ... [2]
MR008822 Tandospirone Tandospirone metabolite M4 Oxidation - Hydroxylation CYP2D6 ... [2]
MR008817 1\(2\pyrimidinyl)\piperazine (1\PP) 5-OH-1-PP Unclear - Unclear Unclear [2]
MR008821 Tandospirone metabolite M2 Tandospirone metabolite M5 Unclear - Unclear Unclear [2]
MR008823 Tandospirone metabolite M4 Tandospirone metabolite M5 Unclear - Unclear Unclear [2]
MR008819 Tandospirone metabolite Ma Tandospirone metabolite Mb Unclear - Unclear Unclear [2]
⏷ Show the Full List of 8 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 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 55).
2 Identification of CYP3A4 as the primary cytochrome P450 responsible for the metabolism of tandospirone by human liver microsomes
3 Simultaneous determination of tandospirone and its active metabolite, 1-[2-pyrimidyl]-piperazine in rat plasma by LC-MS/MS and its application to a pharmacokinetic study

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