AC430

Ligand id: 9177

Name: AC430

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 86.72
Molecular weight 349.13
XLogP 4.78
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(R)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol
Synonyms
AC-430
Database Links
GtoPdb PubChem SID 315661260
PubChem CID 56833309
Search Google for chemical match using the InChIKey DCRWIATZWHLIPN-QGZVFWFLSA-N
Search Google for chemicals with the same backbone DCRWIATZWHLIPN
Search UniChem for chemical match using the InChIKey DCRWIATZWHLIPN-QGZVFWFLSA-N
Search UniChem for chemicals with the same backbone DCRWIATZWHLIPN
Comments
AC430 is an investigational, potent and selective small molecule inhibitor of janus kinase 2 (JAK2) being developed by Ambit (now owned by Daiichi Sankyo) for the treatment of cancer and autoimmune diseases. AC430 is the (R) optical isomer claimed in patent US8703943 [1], although the (S) isomer and racemate are also discussed in the patent descriptions.