AM-461

Ligand id: 10170

Name: AM-461

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 110.16
Molecular weight 459.21
XLogP 4.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[3-[2-(tert-butylsulfanylmethyl)-4-(2,2-dimethylpropanoylamino)phenoxy]-4-methoxyphenyl]acetic acid
Synonyms
AM461 | Compound 1 [WO2011085033]
Comments
AM-461 is a prostanoid DP2 receptor antagonist. It is one of the chemical structures claimed (Compound 1) in patent WO2011085033 for use in treating PGD2-mediated inflammatory allergic responses, particularly asthmatic symptoms [1].
Database Links
CAS Registry No. 1203503-64-3 (source: PubChem)
GtoPdb PubChem SID 381118880
PubChem CID 44600763
Search Google for chemical match using the InChIKey SDHFXINHZHARIB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SDHFXINHZHARIB
Search UniChem for chemical match using the InChIKey SDHFXINHZHARIB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SDHFXINHZHARIB