pacritinib   Click here for help

GtoPdb Ligand ID: 7793

Synonyms: SB-1518 | SB1518
PDB Ligand
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 [2]. The compound is being tested for potential clinical antineoplastic activity.
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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+
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9385 pacritinib
Synonyms Click here for help
SB-1518 | SB1518
Database Links Click here for help
CAS Registry No. 937272-79-2
ChEMBL Ligand CHEMBL2035187
GtoPdb PubChem SID 223366124
PubChem CID 46216796
RCSB PDB Ligand 6T3
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