Ibrexafungerp (Brexafemme) Report issue

Small molecule Approved FDA First in Class Fast Track FDA Priority Review FDA
AACT PubChem

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Chemistry

Mol. Mass

730.05

ALogP

8.62

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(COC[C@@]4(C)[C@@H](OC[C@](C)(N)C(C)(C)C)[C@H](n4ncnc4-c4ccncc4)C5)C3=CC[C@@]2(C)[C@@H]1C(=O)O
  • InChIKey: BODYFEUFKHPRCK-ZCZMVWJSSA-N
    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
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297513   ChEMBL
ibrexafungerp

CHEMBL4298168   ChEMBL
ibrexafungerp citrate

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