cerdulatinib   Click here for help

GtoPdb Ligand ID: 8957

Synonyms: PRT 062070 | PRT-062070 | PRT-2070 | PRT062070
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Cerdulatinib (PRT062070) is an investigational kinase inhibitor, with dual activity against Janus kinases (JAKs) and spleen tyrosine kinase (SYK) pathways [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 141.93
Molecular weight 445.19
XLogP 1.83
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCS(=O)(=O)N1CCN(CC1)c1ccc(cc1)Nc1ncc(c(n1)NC1CC1)C(=O)N
Isomeric SMILES CCS(=O)(=O)N1CCN(CC1)c1ccc(cc1)Nc1ncc(c(n1)NC1CC1)C(=O)N
InChI InChI=1S/C20H27N7O3S/c1-2-31(29,30)27-11-9-26(10-12-27)16-7-5-15(6-8-16)24-20-22-13-17(18(21)28)19(25-20)23-14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H2,21,28)(H2,22,23,24,25)
InChI Key BGLPECHZZQDNCD-UHFFFAOYSA-N
cerdulatinib has been tagged as relevant to immunopharmacology and is awaiting detailed curation for the Guide to IMMUNOPHARMACOLOGY.