General Information of the Compound
Compound ID
CP0720695
Compound Name
Azimilide
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Synonyms
1-({[5-(4-chlorophenyl)furan-2-yl]methylidene}amino)-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione
Azimilide
Azimilide [INN:BAN]
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Structure
Formula
C23H28ClN5O3
Molecular Weight
457.962
Canonical SMILES
CN1CCN(CCCCN2C(=O)CN(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)CC1
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InChI
InChI=1S/C23H28ClN5O3/c1-26-12-14-27(15-13-26)10-2-3-11-28-22(30)17-29(23(28)31)25-16-20-8-9-21(32-20)18-4-6-19(24)7-5-18/h4-9,16H,2-3,10-15,17H2,1H3/b25-16+
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InChIKey
MREBEPTUUMTTIA-PCLIKHOPSA-N
CAS
149908-53-2
Physicochemical Property
logP
3.2257
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
72.6
Hydrogen Bond Donor Count
0
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: 9571004
SID: 14833668
ChEMBL ID
CHEMBL123558
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 560 nM
   TI
   LI
   LO
   TS
2
IC50 = 1412.54 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7 Homo sapiens (Human)  1
1
IC50 = 562.34 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 400 nM
2 IC50 = 562.34 nM
3 IC50 = 1412.54 nM
Clinical Information about the Compound
Drug 1 ( Azimilide )
Drug Name Azimilide
Company Procter & Gamble
Indication
Atrial fibrillation
Phase 3