General Information of the Compound
Compound ID
CP0238950
Compound Name
AZD3463
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Synonyms
AZD-3463
AZD3463
CS-1382
HY-15609
KB-154896
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Structure
Formula
C24H25ClN6O
Molecular Weight
448.958
Canonical SMILES
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12)N1CCC(N)CC1
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InChI
InChI=1S/C24H25ClN6O/c1-32-22-12-16(31-10-8-15(26)9-11-31)6-7-21(22)29-24-28-14-19(25)23(30-24)18-13-27-20-5-3-2-4-17(18)20/h2-7,12-15,27H,8-11,26H2,1H3,(H,28,29,30)
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InChIKey
GCYIGMXOIWJGBU-UHFFFAOYSA-N
Physicochemical Property
logP
4.958
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
92.09
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 56599293
SID: 163508494
ChEMBL ID
CHEMBL4203266
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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
GI50 = 131.5 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( AZD3463 )
Drug Name AZD3463
Target(s)
IGF1R messenger RNA (IGF1R mRNA)
Inhibitor
ALK tyrosine kinase receptor (ALK)
Inhibitor