AZD7624   Click here for help

GtoPdb Ligand ID: 11714

Synonyms: AZD-7624 | Example 259 [WO2009001132]
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: AZD7624 is a p38α MAPK inhibitor [4]. It was designed as an inhalable agent to provide local anti-inflammatory action in inflammatory lung conditions [2-3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 96.76
Molecular weight 491.23
XLogP 4.27
No. Lipinski's rules broken 0
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Canonical SMILES CNCCOc1ccccc1C1(CC1)Nc1nccn(c1=O)c1cc(cc(c1C)F)C(=O)NC1CC1
Isomeric SMILES Cc1c(cc(cc1F)C(=O)NC1CC1)n1ccnc(c1=O)NC1(CC1)c1ccccc1OCCNC
InChI InChI=1S/C27H30FN5O3/c1-17-21(28)15-18(25(34)31-19-7-8-19)16-22(17)33-13-11-30-24(26(33)35)32-27(9-10-27)20-5-3-4-6-23(20)36-14-12-29-2/h3-6,11,13,15-16,19,29H,7-10,12,14H2,1-2H3,(H,30,32)(H,31,34)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
mitogen-activated protein kinase 14 Hs Inhibitor Inhibition 10.0 pIC50 - 1
pIC50 10.0 (IC50 1x10-10 M) [1]