General Information of the Compound
Compound ID
CP0409691
Compound Name
AZ-11548415
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Synonyms
AZD-1080
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Structure
Formula
C19H18N4O2
Molecular Weight
334.379
Canonical SMILES
Oc1[nH]c2ccc(cc2c1-c1ccc(CN2CCOCC2)cn1)C#N
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InChI
InChI=1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,22,24H,5-8,12H2
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InChIKey
BLTVBQXJFVRPFK-UHFFFAOYSA-N
CAS
612487-72-6
Physicochemical Property
logP
2.63938
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
85.17
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
25

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 135564570
SID: 57292587
ChEMBL ID
CHEMBL1969664
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00962, Glycogen synthase kinase-3 beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 31 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 31 nM
Clinical Information about the Compound
Drug 1 ( AZD-1080 )
Drug Name AZD-1080
Company AstraZeneca plc
Indication
Alzheimer disease
Discontinued in Phase 1
Target(s)
Glycogen synthase kinase-3 beta (GSK-3B)
Modulator