ubrogepant

Ligand id: 10176

Name: ubrogepant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 104.29
Molecular weight 549.2
XLogP 3.91
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3S)-N-[(3S,5S,6R)-6-methyl-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-carboxamide
International Nonproprietary Names
INN number INN
9803 ubrogepant
Synonyms
MK-1602 | MK1602
Comments
Like telcagepant (MK-0974), ubrogepant (MK-1602) is a calcitonin gene-related peptide receptor antagonist that was developed for the acute treatment of migraine [1-4].
Database Links
CAS Registry No. 1374248-77-7 (source: WHO INN record)
ChEMBL Ligand CHEMBL2364638
GtoPdb PubChem SID 381118886
PubChem CID 68748835
Search Google for chemical match using the InChIKey DDOOFTLHJSMHLN-ZQHRPCGSSA-N
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Search UniChem for chemical match using the InChIKey DDOOFTLHJSMHLN-ZQHRPCGSSA-N
Search UniChem for chemicals with the same backbone DDOOFTLHJSMHLN