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

General Information of Drug (ID: DR0852)
Drug Name
Idarubicin
Synonyms
Idamycin; Idarubicin Hcl; Idarubicin [INN:BAN]; Idarubicina; Idarubicina [INN-Spanish]; Idarubicine; Idarubicine [INN-French]; Idarubicinum; Idarubicinum [INN-Latin]; ZRP63D75JW; Zavedos; idarubicin hydrochloride; 4-Demethoxydaunomycin; Daunomycin, 4-demethoxy-; IDARUBICIN; IMI 30; IMI-30; 4-Demethoxydaunorubicin; 5,12-Naphthacenedione, 9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-, (7S-cis)-; 58957-92-9; CCRIS 5083; CHEBI:42068; NSC-256439; UNII-ZRP63D75JW
Indication Acute myeloid leukaemia [ICD11: 2A60] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 497.5 Topological Polar Surface Area 177
Heavy Atom Count 36 Rotatable Bond Count 3
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
42890
PubChem SID
794734 ; 7887077 ; 7979585 ; 8177897 ; 11378086 ; 14810780 ; 14908709 ; 17405162 ; 24278488 ; 26697284 ; 26704230 ; 26704281 ; 34708383 ; 46506973 ; 47959947 ; 48416101 ; 49995025 ; 50106402 ; 50106403 ; 50106404 ; 53777706 ; 53788391 ; 57312753 ; 79820214 ; 85789484 ; 87325144 ; 90340569 ; 92303774 ; 92308741 ; 96024754 ; 103311042 ; 104340903 ; 117597729 ; 117695696 ; 121361286 ; 124749845 ; 124891657 ; 126626724 ; 126661729 ; 127301008 ; 127301009 ; 127301010 ; 127301011 ; 127301012 ; 127301013 ; 127301014 ; 127301015 ; 127301016 ; 127301017 ; 127301018
ChEBI ID
ChEBI:42068
CAS Number
58957-92-9
TTD Drug ID
D01XDL
Formula
C26H27NO9
Canonical SMILES
CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O
InChI
1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1
InChIKey
XDXDZDZNSLXDNA-TZNDIEGXSA-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
Idarubicinol DM004272
21118312
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004649 Idarubicin Idarubicinol Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
References
1 Idarubicin was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 In vitro evaluation of cytochrome P450-mediated drug interactions between cytarabine, idarubicin, itraconazole and caspofungin. Hematology. 2004 Jun;9(3):217-21.
3 Clinical pharmacokinetics of idarubicin

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