ASP4058

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Ligands
ASP4058

Ligand id: 9569

Name: ASP4058

Structure and Physico-chemical Properties

2D Structure

Calculated Physico-chemical Properties
Hydrogen bond acceptors	3
Hydrogen bond donors	1
Rotatable bonds	6
Topological polar surface area	76.83
Molecular weight	442.09
XLogP	6.33
No. Lipinski's rules broken	1

Molecular properties generated using the CDK

Classification
Compound class	Synthetic organic

IUPAC Name
5-(5-(3-(Trifluoromethyl)-4-(((2S)-1,1,1-trifluoropropan-2-yl)oxy)phenyl)-1,2,4-oxadiazol-3-yl)-1H-benzimidazole

IUPAC Name

5-(5-(3-(Trifluoromethyl)-4-(((2S)-1,1,1-trifluoropropan-2-yl)oxy)phenyl)-1,2,4-oxadiazol-3-yl)-1H-benzimidazole

Synonyms
ASP-4058

Synonyms

ASP-4058

Database Links
GtoPdb PubChem SID	336446955
PubChem CID	16755143
Search Google for chemical match using the InChIKey	NJNXCJPSMWKXHO-VIFPVBQESA-N
Search Google for chemicals with the same backbone	NJNXCJPSMWKXHO
Search UniChem for chemical match using the InChIKey	NJNXCJPSMWKXHO-VIFPVBQESA-N
Search UniChem for chemicals with the same backbone	NJNXCJPSMWKXHO

Comments
ASP4058 is an orally active, next-generation sphingosine 1-phosphate (S1P) receptor agonist that shows selectivity for S1P₁ and S1P₅ over other S1P receptors in vitro [4]. Most likely used as the hydrochloride salt (PubChem CID 16755142). Compare this with the non-selective S1P agonist fingolimod, which was the first oral drug to be approved for relapsing forms of MS. Studies in animal models suggests that ASP4058 may also be beneficial in ameliorating the chronic arterial wall inflammation observed as underlying intracranial aneurysm (IA) [3].

Comments

ASP4058 is an orally active, next-generation sphingosine 1-phosphate (S1P) receptor agonist that shows selectivity for S1P₁ and S1P₅ over other S1P receptors in vitro [4]. Most likely used as the hydrochloride salt (PubChem CID 16755142). Compare this with the non-selective S1P agonist fingolimod, which was the first oral drug to be approved for relapsing forms of MS.
Studies in animal models suggests that ASP4058 may also be beneficial in ameliorating the chronic arterial wall inflammation observed as underlying intracranial aneurysm (IA) [3].