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
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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)
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
9987 cerdulatinib
Synonyms Click here for help
PRT 062070 | PRT-062070 | PRT-2070 | PRT062070
Database Links Click here for help
CAS Registry No. 1198300-79-6 (source: PubChem)
GtoPdb PubChem SID 310264738
PubChem CID 44595079
Search Google for chemical match using the InChIKey BGLPECHZZQDNCD-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey BGLPECHZZQDNCD-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey BGLPECHZZQDNCD-UHFFFAOYSA-N