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

General Information of Drug (ID: DR0883)
Drug Name
Isavuconazole
Synonyms
Isavuconazole; Isavuconazole (INN); Isavuconazole [INN]; Isavuconazole(BAL-4815; RO 0094815; RO-0094815; RO-0094815); BAL-8557; BAL 4815; BAL-4815; isavuconazol; 241479-67-4; 4-[2-[(1R,2R)-2-(2,5-Difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4-thiazolyl]benzonitrile; 4-[2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile; 60UTO373KE; CHEBI:85979; UNII-60UTO373KE
Indication Allergic bronchopulmonary aspergillosis [ICD11: CA82] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 437.5 Topological Polar Surface Area 116
Heavy Atom Count 31 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
6918485
PubChem SID
12015361 ; 14856922 ; 17194920 ; 24722773 ; 43529855 ; 57371952 ; 78488413 ; 103570494 ; 114788046 ; 126680912 ; 135261044 ; 137006498 ; 142496862 ; 164227664 ; 164761259 ; 172918182 ; 198957657 ; 223665458 ; 225093825 ; 227200670 ; 247264052 ; 252150286 ; 252215608 ; 252479215
ChEBI ID
CHEBI:85979
CAS Number
241479-67-4
TTD Drug ID
D07VHS
Formula
C22H17F2N5OS
Canonical SMILES
CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=NC=N3)(C4=C(C=CC(=C4)F)F)O
InChI
1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1
InChIKey
DDFOUSQFMYRUQK-RCDICMHDSA-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
Unclear DM009999 N. A. Conjugation - Glucuronidation 1 [4]
Unclear DM009999 N. A. Unclear 1 [2] , [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002854 Isavuconazole . Unclear CYP3A4 ... [2], [5]
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 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[3]
References
1 ClinicalTrials.gov (NCT00634049) Isavuconazole in the Treatment of Renally Impaired Aspergillosis and Rare Fungi.
2 Pharmacokinetic evaluation of CYP3A4-mediated drug-drug interactions of isavuconazole with rifampin, ketoconazole, midazolam, and ethinyl estradiol/norethindrone in healthy adults. Clin Pharmacol Drug Dev. 2017 Jan;6(1):44-53.
3 Pharmacokinetic Evaluation of CYP3A4-Mediated Drug-Drug Interactions of Isavuconazole With Rifampin, Ketoconazole, Midazolam, and Ethinyl Estradiol/Norethindrone in Healthy Adults Clin Pharmacol Drug Dev. 2017 Jan;6(1):44-53. doi: 10.1002/cpdd.285.
4 EMA Label: Cresemba, Isavuconazole - European Medicines Agency - Europa EU
5 Concomitant use of isavuconazole and CYP3A4/5 inducers: Where pharmacogenetics meets pharmacokinetics Mycoses. 2021 Sep;64(9):1111-1116. doi: 10.1111/myc.13300.

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