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

General Information of Drug (ID: DR1727)
Drug Name
Zanubrutinib
Synonyms
Zanubrutinib; Zanubrutinib (USAN/INN); Zanubrutinib [INN]; Zanubrutinib [USAN]; compound 27b [US9447106]; (7S)-2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide; 1691249-45-2; BDBM250082; BGB3111; CHEMBL3936761; CS-0021869; D11422; GTPL9861; HY-101474A; Pyrazolo(1,5-a)pyrimidine-3-carboxamide, 4,5,6,7-tetrahydro-7-(1-(1-oxo-2-propen-1-yl)-4-piperidinyl)-2-(4-phenoxyphenyl)-, (7S)-; SCHEMBL17842597; AG9MHG098Z; US9447106, 27b (peak 2); ZINC584641430; UNII-AG9MHG098Z
Indication Mantle cell lymphoma [ICD11: 2A85] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 471.5 Topological Polar Surface Area 103
Heavy Atom Count 35 Rotatable Bond Count 6
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
135565884
CAS Number
1691249-45-2
Formula
C27H29N5O3
Canonical SMILES
C=CC(=O)N1CCC(CC1)C2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N
InChI
1S/C27H29N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,18,22,29H,1,12-17H2,(H2,28,34)/t22-/m0/s1
InChIKey
RNOAOAWBMHREKO-QFIPXVFZSA-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
Zanubrutinib Metabolite M5 DM003074
5284604
Unclear - Unclear 1 [3]
Zanubrutinib Metabolite M6 DM018628 N. A. Unclear - Unclear 1 [3]
Zanubrutinib Metabolite M7/M8 DM018627 N. A. Unclear - Unclear 1 [3]
Zanubrutinib Metabolite M9 DM018623 N. A. Unclear - Unclear 1 [3]
Naloxol DM004528
44230574
Unclear - Unclear 2 [3]
Zanubrutinib Metabolite M3/M11 DM018624 N. A. Unclear - Unclear 2 [3]
Zanubrutinib Metabolite M10 DM018625 N. A. Unclear - Unclear 3 [3]
Zanubrutinib Metabolite M2 DM001121
5497189
Unclear - Unclear 3 [3]
Zanubrutinib Metabolite M1 DM018626 N. A. Unclear - Unclear 4 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010776 Zanubrutinib Zanubrutinib Metabolite M9 Unclear - Unclear Unclear [3]
MR010781 Zanubrutinib Zanubrutinib Metabolite M7/M8 Unclear - Unclear Unclear [3]
MR010783 Zanubrutinib Zanubrutinib Metabolite M6 Unclear - Unclear Unclear [3]
MR010784 Zanubrutinib Zanubrutinib Metabolite M5 Unclear - Unclear Unclear [3]
MR010782 Zanubrutinib Metabolite M7/M8 Zanubrutinib Metabolite M4 Unclear - Unclear Unclear [3]
MR010777 Zanubrutinib Metabolite M9 Zanubrutinib Metabolite M3/M11 Unclear - Unclear Unclear [3]
MR010778 Zanubrutinib Metabolite M3/M11 Zanubrutinib Metabolite M2 Unclear - Unclear Unclear [3]
MR010779 Zanubrutinib Metabolite M3/M11 Zanubrutinib Metabolite M10 Unclear - Unclear Unclear [3]
MR010780 Zanubrutinib Metabolite M2 Zanubrutinib Metabolite M1 Unclear - Unclear Unclear [3]
⏷ Show the Full List of 9 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[4]
References
1 Zanubrutinib was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 FDA label of Zanubrutinib. The 2020 official website of the U.S. Food and Drug Administration.
3 In vitro investigations into the roles of CYP450 enzymes and drug transporters in the drug interactions of zanubrutinib, a covalent Bruton's tyrosine kinase inhibitor
4 Evaluation of drug interaction potential of zanubrutinib with cocktail probes representative of CYP3A4, CYP2C9, CYP2C19, P-gp and BCRP

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