IRAK4 inhibitor rac-45 [PMID: 18501603]   Click here for help

GtoPdb Ligand ID: 8081

Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: This is an experimental inhibitor of IRAK4 discovered by high throughput screening [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 54.25
Molecular weight 313.11
XLogP 3.27
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc2n(c1)c(cn2)c1cccc(n1)NC1CNCC1
Isomeric SMILES Clc1ccc2n(c1)c(cn2)c1cccc(n1)NC1CNCC1
InChI InChI=1S/C16H16ClN5/c17-11-4-5-16-19-9-14(22(16)10-11)13-2-1-3-15(21-13)20-12-6-7-18-8-12/h1-5,9-10,12,18H,6-8H2,(H,20,21)
InChI Key NAMQQRIYZTTYCJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-{6-chloroimidazo[1,2-a]pyridin-3-yl}-N-(pyrrolidin-3-yl)pyridin-2-amine
Database Links Click here for help
ChEMBL Ligand CHEMBL401633
GtoPdb PubChem SID 249565761
PubChem CID 25169383
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