IBREXAFUNGERP

Search structure
Synonyms:
Status: Approved (2021)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: A92JFM5XNU

Structure
InChI Key BODYFEUFKHPRCK-ZCZMVWJSSA-N
Smile CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](n4ncnc4-c4ccncc4)[C@@H]5OC[C@](C)(N)C(C)(C)C)C3=CC[C@@]2(C)[C@@H]1C(=O)O
InChI
InChI=1S/C44H67N5O4/c1-27(2)28(3)39(7)18-19-41(9)30-12-13-33-40(8)23-52-25-44(33,31(30)14-17-42(41,10)34(39)37(50)51)22-32(35(40)53-24-43(11,45)38(4,5)6)49-36(47-26-48-49)29-15-20-46-21-16-29/h14-16,20-21,26-28,30,32-35H,12-13,17-19,22-25,45H2,1-11H3,(H,50,51)/t28-,30+,32-,33+,34-,35+,39-,40-,41-,42+,43+,44+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C44H67N5O4
Molecular Weight 730.05
AlogP 8.62
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 125.38
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 53.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR 1,3-beta-glucan synthase inhibitor PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Candidiasis, Invasive 3 D058365 ClinicalTrials
Candidiasis, Vulvovaginal 3 D002181 ClinicalTrials
Vulvovaginitis 3 D014848 ClinicalTrials
Candidemia 3 D058387 ClinicalTrials
Aspergillosis, Allergic Bronchopulmonary 3 D001229 ClinicalTrials
Blastomycosis 3 D001759 ClinicalTrials
Coccidioidomycosis 3 D003047 ClinicalTrials
Histoplasmosis 3 D006660 ClinicalTrials
Aspergillosis 2 D001228 ClinicalTrials
Mycoses 1 D009181 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297513
DrugBank DB12471
FDA SRS A92JFM5XNU
SureChEMBL SCHEMBL3479266
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