CEE321   Click here for help

GtoPdb Ligand ID: 12350

Synonyms: CEE-321 | compound 1e [PMID: 36657024]
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: CEE321 is a pan-JAK inhibitor (JAKinib) [1]. It was designed for anti-inflammatory potential. CEE321 exhibits limited systemic exposure following application to the skin, and represents a novel topical soft drug in the class of anti-inflammatory JAKinibs.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 92.93
Molecular weight 353.1
XLogP 3.65
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1cccc(n1)Nc1ncc(c(c1)Nc1ccccc1Cl)C(=O)N
Isomeric SMILES O=C(N)c1c(Nc2ccccc2Cl)cc(Nc2nc(C)ccc2)nc1
InChI InChI=1S/C18H16ClN5O/c1-11-5-4-8-16(22-11)24-17-9-15(12(10-21-17)18(20)25)23-14-7-3-2-6-13(14)19/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)
InChI Key OYWNKAAPXTYEBN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-(2-chloroanilino)-6-[(6-methylpyridin-2-yl)amino]pyridine-3-carboxamide
Synonyms Click here for help
CEE-321 | compound 1e [PMID: 36657024]
Database Links Click here for help
GtoPdb PubChem SID 479821141
PubChem CID 129165016
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