pacritinib   Click here for help

GtoPdb Ligand ID: 7793

Synonyms: SB-1518 | SB1518 | Vonjo®
Approved drug PDB Ligand
pacritinib is an approved drug (FDA (2022))
Compound class: Synthetic organic
Comment: Pacritinib is an orally bioavailable and somewhat selective inhibitor of Janus kinase 2 (JAK2) and the JAK2 gain-of-function mutant JAK2V617F [3]. At clinically relevant concentrations, pacritinib does not inhibit JAK1. It also has some inhibitory activity against FMS-like tyrosine kinase 3 (FLT3).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 68.74
Molecular weight 472.25
XLogP 4.16
No. Lipinski's rules broken 0
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Canonical SMILES C1C=CCOCc2cc(ccc2OCCN2CCCC2)Nc2nc(c3cc(CO1)ccc3)ccn2
Isomeric SMILES C1/C=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nc(c3cc(CO1)ccc3)ccn2
InChI InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+
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Molecular structure representations generated using Open Babel