ubrogepant (Ubrelvy) Report issue

Small molecule Approved FDA
AACT ChEMBL MeSH PubChem

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Chemistry

Mol. Mass

549.5436

ALogP

3.53

Rule of 5

No

Rule of 3

No
Details
  • SMILES: C[C@@H]1[C@@H](C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC5=NC=CC=C45)C(=O)N1CC(F)(F)F)C6=CC=CC=C6
  • InChIKey: DDOOFTLHJSMHLN-ZQHRPCGSSA-N
    1S/C29H26F3N5O3/c1-16-20(17-6-3-2-4-7-17)11-22(26(39)37(16)15-29(30,31)32)35-25(38)19-10-18-12-28(13-23(18)34-14-19)21-8-5-9-33-24(21)36-27(28)40/h2-10,14,16,20,22H,11-13,15H2,1H3,(H,35,38)(H,33,36,40)/t16-,20-,22+,28+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2364638   ChEMBL
ubrogepant

AD0O8X2QJR   NCATS
ubrogepant *

Ubrogepant   Wikipedia

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