General Information of the Compound
Compound ID
CP0495868
Compound Name
8-(3-Azido-phenyl)-6-iodo-quinoline
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Synonyms
6-Iodo-8-(3-azidophenyl)quinoline
8-(3-Azido-phenyl)-6-iodo-quinoline
CHEMBL127994
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Structure
Formula
C15H9IN4
Molecular Weight
372.169
Canonical SMILES
Ic1cc(-c2cccc(c2)N=[N+]=[N-])c2ncccc2c1
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InChI
InChI=1S/C15H9IN4/c16-12-7-11-4-2-6-18-15(11)14(9-12)10-3-1-5-13(8-10)19-20-17/h1-9H
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InChIKey
PBIQIEZSLAPKDM-UHFFFAOYSA-N
Physicochemical Property
logP
5.4482
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
61.65
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 10642995
SID: 15674497
ChEMBL ID
CHEMBL127994
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: PT01479, 3',5'-cyclic-AMP phosphodiesterase 4A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 2.7 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 8-(3-Azido-phenyl)-6-iodo-quinoline )
Drug Name 8-(3-Azido-phenyl)-6-iodo-quinoline
Target(s)
Phosphodiesterase 4A (PDE4A)
Inhibitor