General Information of the Compound
Compound ID
CP0464801
Compound Name
8-(3-Azido-phenyl)-6-pyridin-4-ylmethyl-quinoline
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Synonyms
8-(3-Azido-phenyl)-6-pyridin-4-ylmethyl-quinoline
BDBM50092630
CHEMBL339083
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Structure
Formula
C21H15N5
Molecular Weight
337.386
Canonical SMILES
[N-]=[N+]=Nc1cccc(c1)-c1cc(Cc2ccncc2)cc2cccnc12
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InChI
InChI=1S/C21H15N5/c22-26-25-19-5-1-3-17(14-19)20-13-16(11-15-6-9-23-10-7-15)12-18-4-2-8-24-21(18)20/h1-10,12-14H,11H2
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InChIKey
SJSUBWZFLWXJFL-UHFFFAOYSA-N
Physicochemical Property
logP
5.8294
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
74.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 10404815
SID: 15422011
ChEMBL ID
CHEMBL339083
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 = 0.2 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 8-(3-Azido-phenyl)-6-pyridin-4-ylmethyl-quinoline )
Drug Name 8-(3-Azido-phenyl)-6-pyridin-4-ylmethyl-quinoline
Target(s)
Phosphodiesterase 4A (PDE4A)
Inhibitor