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
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.
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