atogepant

Ligand id: 9730

Name: atogepant

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 603.17
XLogP 4.85
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-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)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
10510 atogepant
Synonyms
AGN-241689 | example 4 [US20120122911] [1] | MK-8031
Comments
Atogepant is an oral calcitonin gene-related peptide receptor (CGRP) antagonist that that was doscovered by Merck, and which is now being developed by Allergan as prophylaxis of migraine [1].
Database Links
CAS Registry No. 1374248-81-3 (source: WHO INN record)
GtoPdb PubChem SID 354702206
PubChem CID 72163100
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