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

General Information of Drug (ID: DR3128)
Drug Name
KW-2449
Synonyms Tumor antigen-specific mAb (cancer), Kyowa; Tumor antigen-specific monoclonal antibody (cancer), Kyowa Hakko Kirin; Tumor antigen-specific monoclonal antibody (cancer), Kyowa Hakko Kogyo
Indication Acute myeloid leukaemia [ICD11: 2A60] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 332.4 Topological Polar Surface Area 61
Heavy Atom Count 25 Rotatable Bond Count 3
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
11427553
ChEBI ID
CHEBI:91441
CAS Number
841258-76-2
TTD Drug ID
D00ABO
Formula
C20H20N4O
Canonical SMILES
C1CN(CCN1)C(=O)C2=CC=C(C=C2)/C=C/C3=NNC4=CC=CC=C43
InChI
InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+
InChIKey
YYLKKYCXAOBSRM-JXMROGBWSA-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
KW-2449 metabolite M1 DM015741
11267995
Unclear - Unclear 1 [2]
KW-2449 metabolite M2 DM015760
11437002
Unclear - Unclear 1 [2]
KW-2449 metabolite M3 DM016251
67090037
Unclear - Unclear 1 [2]
KW-2449 metabolite M4 DM016250
67089765
Unclear - Unclear 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008445 KW-2449 KW-2449 metabolite M1 Unclear - Unclear MAO-B ... [2]
MR008446 KW-2449 KW-2449 metabolite M2 Unclear - Unclear Unclear [2]
MR008447 KW-2449 KW-2449 metabolite M3 Unclear - Unclear Unclear [2]
MR008448 KW-2449 KW-2449 metabolite M4 Unclear - Unclear Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Aldehyde oxidase (AOX1) DME0052 Homo sapiens
AOXA_HUMAN
1.2.3.1
[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: 5691).
2 Monoamine oxidase B oxidizes a novel multikinase inhibitor KW-2449 to its iminium ion and aldehyde oxidase further converts it to the oxo-piperazine form in human

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