AC430   Click here for help

GtoPdb Ligand ID: 9177

Synonyms: AC-430
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: 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.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 86.72
Molecular weight 349.13
XLogP 3.37
No. Lipinski's rules broken 0
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Canonical SMILES Fc1ccc(cc1)C(c1nc(Nc2n[nH]c(c2)C)c2c(n1)cccc2)O
Isomeric SMILES Fc1ccc(cc1)[C@H](c1nc(Nc2n[nH]c(c2)C)c2c(n1)cccc2)O
InChI InChI=1S/C19H16FN5O/c1-11-10-16(25-24-11)22-18-14-4-2-3-5-15(14)21-19(23-18)17(26)12-6-8-13(20)9-7-12/h2-10,17,26H,1H3,(H2,21,22,23,24,25)/t17-/m1/s1
No information available.
Summary of Clinical Use Click here for help
A Phase 1 safety and tolerability clinical study in healthy volunteers (NCT01287858) has been completed.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT01287858 Study to Assess Safety, Tolerability, and Pharmacokinetics of Oral Doses for AC430 in Healthy Subjects Phase 1 Interventional Daiichi Sankyo, Inc.