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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H17F2N5OS
Molecular Weight 437.465
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISAVUCONAZOLE

SMILES

C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](O)(CN3C=NC=N3)C4=C(F)C=CC(F)=C4

InChI

InChIKey=DDFOUSQFMYRUQK-RCDICMHDSA-N
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

HIDE SMILES / InChI
Molecular Formula C22H17F2N5OS
Molecular Weight 437.465
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 16:28:37 UTC 2023
Edited
by admin
on Sat Dec 16 16:28:37 UTC 2023
Record UNII
60UTO373KE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISAVUCONAZOLE
INN   MI   WHO-DD  
INN  
Official Name English
4-(2-((2R,3R)-3-(2,5-DIFLUOROPHENYL)-3-HYDROXY-4-(1H-1,2,4-TRIAZOL-1-YL)BUTAN-2-YL)-1,3-THIAZOL-4-YL)BENZONITRILE
Systematic Name English
BAL-4815
Code English
ISAVUCONAZOLE [MI]
Common Name English
isavuconazole [INN]
Common Name English
Isavuconazole [WHO-DD]
Common Name English
Classification Tree Code System Code
WHO-ATC J02AC05
Created by admin on Sat Dec 16 16:28:40 UTC 2023 , Edited by admin on Sat Dec 16 16:28:40 UTC 2023
NCI_THESAURUS C514
Created by admin on Sat Dec 16 16:28:40 UTC 2023 , Edited by admin on Sat Dec 16 16:28:40 UTC 2023
NDF-RT N0000175487
Created by admin on Sat Dec 16 16:28:40 UTC 2023 , Edited by admin on Sat Dec 16 16:28:40 UTC 2023
Code System Code Type Description
WIKIPEDIA
ISAVUCONAZOLE
Created by admin on Sat Dec 16 16:28:40 UTC 2023 , Edited by admin on Sat Dec 16 16:28:40 UTC 2023
PRIMARY
DAILYMED
60UTO373KE
Created by admin on Sat Dec 16 16:28:40 UTC 2023 , Edited by admin on Sat Dec 16 16:28:40 UTC 2023
PRIMARY
EPA CompTox
DTXSID2058251
Created by admin on Sat Dec 16 16:28:40 UTC 2023 , Edited by admin on Sat Dec 16 16:28:40 UTC 2023
PRIMARY
NCI_THESAURUS
C64543
Created by admin on Sat Dec 16 16:28:40 UTC 2023 , Edited by admin on Sat Dec 16 16:28:40 UTC 2023
PRIMARY
ChEMBL
CHEMBL409153
Created by admin on Sat Dec 16 16:28:40 UTC 2023 , Edited by admin on Sat Dec 16 16:28:40 UTC 2023
PRIMARY
NDF-RT
N0000187061
Created by admin on Sat Dec 16 16:28:40 UTC 2023 , Edited by admin on Sat Dec 16 16:28:40 UTC 2023
PRIMARY Organic Cation Transporter 2 Inhibitors [MoA]
CAS
241479-67-4
Created by admin on Sat Dec 16 16:28:40 UTC 2023 , Edited by admin on Sat Dec 16 16:28:40 UTC 2023
PRIMARY
INN
8783
Created by admin on Sat Dec 16 16:28:40 UTC 2023 , Edited by admin on Sat Dec 16 16:28:40 UTC 2023
PRIMARY
EVMPD
SUB128138
Created by admin on Sat Dec 16 16:28:40 UTC 2023 , Edited by admin on Sat Dec 16 16:28:40 UTC 2023
PRIMARY
DRUG BANK
DB11633
Created by admin on Sat Dec 16 16:28:40 UTC 2023 , Edited by admin on Sat Dec 16 16:28:40 UTC 2023
PRIMARY
NDF-RT
N0000185503
Created by admin on Sat Dec 16 16:28:40 UTC 2023 , Edited by admin on Sat Dec 16 16:28:40 UTC 2023
PRIMARY P-Glycoprotein Inhibitors [MoA]
RXCUI
1720882
Created by admin on Sat Dec 16 16:28:40 UTC 2023 , Edited by admin on Sat Dec 16 16:28:40 UTC 2023
PRIMARY RxNorm
CHEBI
85979
Created by admin on Sat Dec 16 16:28:40 UTC 2023 , Edited by admin on Sat Dec 16 16:28:40 UTC 2023
PRIMARY
MERCK INDEX
m6419
Created by admin on Sat Dec 16 16:28:40 UTC 2023 , Edited by admin on Sat Dec 16 16:28:40 UTC 2023
PRIMARY Merck Index
NDF-RT
N0000182141
Created by admin on Sat Dec 16 16:28:40 UTC 2023 , Edited by admin on Sat Dec 16 16:28:40 UTC 2023
PRIMARY Cytochrome P450 3A4 Inhibitors [MoA]
FDA UNII
60UTO373KE
Created by admin on Sat Dec 16 16:28:40 UTC 2023 , Edited by admin on Sat Dec 16 16:28:40 UTC 2023
PRIMARY
PUBCHEM
6918485
Created by admin on Sat Dec 16 16:28:40 UTC 2023 , Edited by admin on Sat Dec 16 16:28:40 UTC 2023
PRIMARY
SMS_ID
100000153839
Created by admin on Sat Dec 16 16:28:40 UTC 2023 , Edited by admin on Sat Dec 16 16:28:40 UTC 2023
PRIMARY
Related Record Type Details
CYTOCHROME P450 3A5
METABOLIC ENZYME -> SUBSTRATE
Structure of ISAVUCONAZOLE
EXCRETED UNCHANGED
FECAL
CYTOCHROME P450 2C19
METABOLIC ENZYME -> INHIBITOR
CYTOCHROME P450 3A4
METABOLIC ENZYME -> INHIBITOR
CYTOCHROME P450 2C8
METABOLIC ENZYME -> INDUCER
CYTOCHROME P450 2C8
METABOLIC ENZYME -> INHIBITOR
CYTOCHROME P450 2D6
METABOLIC ENZYME -> INHIBITOR
ASPERGILLUS FUMIGATUS
TARGET ORGANISM->INHIBITOR
CANDIDA TROPICALIS
TARGET ORGANISM->INHIBITOR
MIC
CYTOCHROME P450 2C9
METABOLIC ENZYME -> INHIBITOR
CYTOCHROME P450 2B6
METABOLIC ENZYME -> INDUCER
CANDIDA ALBICANS
TARGET ORGANISM->INHIBITOR
MIC
CYTOCHROME P450 2C9
METABOLIC ENZYME -> INDUCER
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
Structure of ISAVUCONAZOLE
EXCRETED UNCHANGED
URINE
ISSATCHENKIA ORIENTALIS WHOLE
TARGET ORGANISM->INHIBITOR
MIC
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
RHIZOPUS ARRHIZUS
TARGET ORGANISM->INHIBITOR
CANDIDA PARAPSILOSIS
TARGET ORGANISM->INHIBITOR
MIC
ASPERGILLUS FLAVUS
TARGET ORGANISM->INHIBITOR
CYTOCHROME P450 3A4
METABOLIC ENZYME -> INDUCER
CYTOCHROME P450 3A5
METABOLIC ENZYME -> INDUCER
Related Record Type Details
Structure of ISAVUCONAZONIUM
PRODRUG -> METABOLITE ACTIVE
Related Record Type Details
Structure of ISAVUCONAZOLE
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC INTRAVENOUS ADMINISTRATION

ORAL BIOAVAILABILITY PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC INTRAVENOUS ADMINISTRATION

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