AS101

Ligand id: 437

Name: AS101

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 137.4
Molecular weight 524.23
XLogP 1.61
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(5Z)-5-(2,6-dioxo-1,3-dipropylpurin-8-ylidene)-1-methyl-2H-pyrazol-3-yl] 2-[(3,4-dimethoxyphenyl)amino]acetate
Synonyms
AS 101 | AS-101
Database Links
GtoPdb PubChem SID 135649959
PubChem CID 11260998
Search Google for chemical match using the InChIKey OZNDSRMQISJHIZ-JWGURIENSA-N
Search Google for chemicals with the same backbone OZNDSRMQISJHIZ
Search UniChem for chemical match using the InChIKey OZNDSRMQISJHIZ-JWGURIENSA-N
Search UniChem for chemicals with the same backbone OZNDSRMQISJHIZ
Comments
Immunomodulator; inhibits IL-10 synthesis and potentiates IL-1α, IL-2 and TNFα release