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

General Information of Drug (ID: DR0884)
Drug Name
Isavuconazonium
Synonyms
Isavuconazonium; Isavuconazonium (USAN); Isavuconazonium [USAN]; Isavuconazonium ion; VH2L779W8Q; 742049-41-8; AC1OCFMR; ACN-048059; BCP23773; BAL 8557-000; BAL-8557; BAL8557-000; CHEBI:85978; CHEMBL1183349; DB06636; DTXSID70225203; Glycine, N-methyl-, (2-(((1-(1-((2R,3R)-3-(4-(4-cyanophenyl)-2-thiazolyl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-1H-1,2,4-triazolium-4-yl)ethoxy)carbonyl)methylamino)-3-pyridinyl)methyl ester; SCHEMBL13133195; UNII-VH2L779W8Q
Indication Allergic bronchopulmonary aspergillosis [ICD11: CA82] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 717.8 Topological Polar Surface Area 188
Heavy Atom Count 51 Rotatable Bond Count 15
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 13
Cross-matching ID
PubChem CID
6918606
ChEBI ID
CHEBI:85978
CAS Number
742049-41-8
Formula
C35H35F2N8O5S+
Canonical SMILES
CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=[N+](C=N3)C(C)OC(=O)N(C)C4=C(C=CC=N4)COC(=O)CNC)(C5=C(C=CC(=C5)F)F)O
InChI
1S/C35H35F2N8O5S/c1-22(33-42-30(18-51-33)25-9-7-24(15-38)8-10-25)35(48,28-14-27(36)11-12-29(28)37)19-45-21-44(20-41-45)23(2)50-34(47)43(4)32-26(6-5-13-40-32)17-49-31(46)16-39-3/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3/q+1/t22-,23?,35+/m0/s1
InChIKey
RSWOJTICKMKTER-QXLBVTBOSA-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
Isavuconazole DM003066
6918485
Unclear 1 [4]
Unclear DM009999 N. A. Unclear 2 [5]
Unclear DM009999 N. A. Conjugation - Glucuronidation 3 [6]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002793 Isavuconazonium Isavuconazole Unclear Unclear [4]
MR002794 Isavuconazole . Unclear CYP3A4 ... [5]
MR002792 . . Conjugation - Glucuronidation UGT [6]
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 Isavuconazonium was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Isavuconazole: pharmacology, pharmacodynamics, and current clinical experience with a new triazole antifungal agent. Pharmacotherapy. 2015 Nov;35(11):1037-51.
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 Evaluation of Amebicidal and Cysticidal Activities of Antifungal Drug Isavuconazonium Sulfate against Acanthamoeba T4 Strains. Pharmaceuticals (Basel). 2021 Dec 11;14(12):1294. doi: 10.3390/ph14121294.
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.
6 DrugBank(Pharmacology-Metabolism)Isavuconazonium

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