BF-1

Ligand id: 8424

Name: BF-1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 47
Molecular weight 367.16
XLogP 3.66
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine
Database Links
CAS Registry No. 518980-66-0
GtoPdb PubChem SID 252166634
PubChem CID 10287037
Search Google for chemical match using the InChIKey ANZVBVKYXOGOQC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ANZVBVKYXOGOQC
Search UniChem for chemical match using the InChIKey ANZVBVKYXOGOQC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ANZVBVKYXOGOQC
Comments
BF-1 is a selective antagonist of the 5-HT2B receptor, being investigated preclinically as an anti-migraine therapeutic [1]. Because this compound lacks high affinities for other monoamine receptors it should have fewer monoanimergic side effects than reported for previously used and withdrawn 5-HT2B antagonists such as methysergide and pizotifen. BF-1 is the result of structural modification of the chemical scaffold of methixene, a compound with high affinity for 5-HT2A, 2B, 2C, histamine H1, adrenaline α1A and muscarinic M2 receptors [1].