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

General Information of Drug (ID: DR0291)
Drug Name
Certolizumab pegol
Synonyms
Certolizumab; Certolizumab Pegol; Cimzia; Certolizumab pegol [USAN:INN:BAN:JAN]MCULE-9745806274; PHA-738144; PHA 738144; CDP 870; CDP870; CZP; HSDB 7848; 428863-50-7; UNII-UMD07X179E; Z223080634; ZINC9497157; UMD07X179E; AKOS033810205; Immunoglobulin, anti-(human tumor necrosis factor alpha) Fab' fragment (human-mouse monoclonal CDP870 heavy chain), disulfide with human-mouse monoclonal CDP870 light chain, pegylated; Immunoglobulin, anti-(human tumor necrosis factor alpha) Fab' fragment (human-mouse monoclonal CDP870 heavy chain), disulfide with human-mouse monoclonal CDP870 light chain, pegylated. Molecular weight is 47,696 daltons (unpegylated moiety)
Indication Crohn disease [ICD11: DD70] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 367.4 Topological Polar Surface Area 98
Heavy Atom Count 26 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
17397581
TTD Drug ID
D08YAY
Formula
C19H17N3O3S
Canonical SMILES
C1CN(CCN1C(=O)C2=CC=CS2)C(=O)C3=CC(=O)NC4=CC=CC=C43
InChI
1S/C19H17N3O3S/c23-17-12-14(13-4-1-2-5-15(13)20-17)18(24)21-7-9-22(10-8-21)19(25)16-6-3-11-26-16/h1-6,11-12H,7-10H2,(H,20,23)
InChIKey
ZGVSTSLQSBCQHY-UHFFFAOYSA-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
Certolizumab DM002456 N. A. Unclear 1 [3]
PEG DM002457 N. A. Unclear 1 [3]
Carboxylic acid DM002458 N. A. Unclear 2 [4]
Peptide DM002454 N. A. Unclear 2 [3]
Amino acid DM002455 N. A. Unclear 3 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000606 Certolizumab pegol Certolizumab Unclear Unclear [3]
MR000607 Certolizumab pegol PEG Unclear Unclear [3]
MR000604 Certolizumab Peptide Unclear Unclear [3]
MR000605 PEG Carboxylic acid Unclear ADH1A [4]
MR000603 Peptide Amino acid Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Aldo-keto reductase 1A1 (AKR1A1) DME0098 Homo sapiens
AK1A1_HUMAN
1.1.1.2
[2]
References
1 Certolizumab Pegol was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 PEGylated proteins: evaluation of their safety in the absence of definitive metabolism studies. Drug Metab Dispos. 2007 Jan;35(1):9-16.
3 DrugBank(Pharmacology-Metabolism)Certolizumab pegol
4 LABEL:CIMZIA- certolizumab pegol kit CIMZIA- certolizumab pegol injection

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