PF-06263276   Click here for help

GtoPdb Ligand ID: 9432

Synonyms: compound 2 [PMID: 27983835] | PF 0626327 | PF0626327
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: PF-06263276 is a pan-JAK inhibitor [1]. There are two E/Z isomers as PubChem CID 122196621 and PubChem CID 71495793 but these are not resolved in the publication.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 126.92
Molecular weight 566.26
XLogP 5.55
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCc1cc(O)c(cc1c1ccc2c(c1)[nH]nc2c1nc2c([nH]1)CCN(C2)C(=O)c1cnc(cn1)N1CCCCC1)F
Isomeric SMILES CCc1cc(O)c(cc1c1ccc2c(c1)[nH]nc2c1nc2c([nH]1)CCN(C2)C(=O)c1cnc(cn1)N1CCCCC1)F
InChI InChI=1S/C31H31FN8O2/c1-2-18-13-27(41)22(32)14-21(18)19-6-7-20-24(12-19)37-38-29(20)30-35-23-8-11-40(17-26(23)36-30)31(42)25-15-34-28(16-33-25)39-9-4-3-5-10-39/h6-7,12-16,41H,2-5,8-11,17H2,1H3,(H,35,36)(H,37,38)
InChI Key XDJGNPSZQSWJCV-UHFFFAOYSA-N
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Compound class Synthetic organic
IUPAC Name Click here for help
2-[6-(2-Ethyl-5- fl uoro-4-hydroxyphenyl)-1 H -indazol-3-yl]- 1,4,6,7-tetrahydroimidazo[4,5- c ]pyridin-5-yl-(5-piperidin-1-yl- pyrazin-2-yl)methanone
Synonyms Click here for help
compound 2 [PMID: 27983835] | PF 0626327 | PF0626327
Database Links Click here for help
GtoPdb PubChem SID 329968373
PubChem CID 71495793
RCSB PDB Ligand 7GS
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SynPHARM 85309 (in complex with Janus kinase 2)