avitriptan

Ligand id: 10446

Name: avitriptan

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 111.83
Molecular weight 458.21
XLogP 1.52
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
International Nonproprietary Names
INN number INN
7561 avitriptan
Synonyms
BMS-180,048 | BMS-180048 | BMS180048
Comments
Avitriptan (BMS-180048) is a serotonin receptor agonist with selectivity for the 5-HT1D and 5-HT1B subtypes [5]. It was investigated as an anti-mirgaine agent in the late 1990s [1-4] but never reached the market.
Database Links
CAS Registry No. 151140-96-4 (source: WHO INN record)
ChEMBL Ligand CHEMBL2110755
GtoPdb PubChem SID 385612206
PubChem CID 133081
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