JAK3 inhibitor IV   Click here for help

GtoPdb Ligand ID: 5994

Synonyms: ZM-39923 | ZM39923
Compound class: Synthetic organic
Comment: This is compound 7 in [2], and is also known as ZM39923. It was originally identified as an ATP-binding site inhibitor of JAK3 [5], but has additionally been reported to inhibit transglutaminase 2 (TGM2) with nanomolar potency in vitro [4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 20.31
Molecular weight 331.19
XLogP 5.44
No. Lipinski's rules broken 1
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Canonical SMILES CC(N(Cc1ccccc1)CCC(=O)c1ccc2c(c1)cccc2)C
Isomeric SMILES CC(N(Cc1ccccc1)CCC(=O)c1ccc2c(c1)cccc2)C
InChI InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
ZM-39923 | ZM39923
Database Links Click here for help
CAS Registry No. 273727-89-2
ChEMBL Ligand CHEMBL596674
GtoPdb PubChem SID 178102616
PubChem CID 3797
Search Google for chemical match using the InChIKey JSASWRWALCMOQP-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey JSASWRWALCMOQP-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey JSASWRWALCMOQP-UHFFFAOYSA-N