AZ960   Click here for help

GtoPdb Ligand ID: 8476

Synonyms: AZ 960 | AZ-960
Compound class: Synthetic organic
Comment: AZ960 is a novel ATP competitive Janus kinase 2 (JAK2) inhibitor [1].
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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 5
Topological polar surface area 89.42
Molecular weight 354.14
XLogP 4.7
No. Lipinski's rules broken 0
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Canonical SMILES N#Cc1cc(F)c(nc1NC(c1ccc(cc1)F)C)Nc1n[nH]c(c1)C
Isomeric SMILES N#Cc1cc(F)c(nc1N[C@H](c1ccc(cc1)F)C)Nc1n[nH]c(c1)C
InChI InChI=1S/C18H16F2N6/c1-10-7-16(26-25-10)23-18-15(20)8-13(9-21)17(24-18)22-11(2)12-3-5-14(19)6-4-12/h3-8,11H,1-2H3,(H3,22,23,24,25,26)/t11-/m0/s1
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Janus kinase 2 Primary target of this compound Hs Inhibitor Inhibition 9.4 pKi - 1
pKi 9.4 (Ki 4.5x10-10 M) [1]