General Information of the Compound
Compound ID
CP0374610
Compound Name
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
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Synonyms
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CHEMBL190111
ZINC13648697
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Structure
Formula
C16H11N3
Molecular Weight
245.285
Canonical SMILES
c1n(nc2c1cnc1ccccc21)-c1ccccc1
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InChI
InChI=1S/C16H11N3/c1-2-6-13(7-3-1)19-11-12-10-17-15-9-5-4-8-14(15)16(12)18-19/h1-11H
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InChIKey
GUVLEBBZKMQLIY-UHFFFAOYSA-N
Physicochemical Property
logP
3.5737
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
30.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 11470612
SID: 16571057
ChEMBL ID
CHEMBL190111
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: PT00840, Adenosine receptor A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01278, Adenosine receptor A2b
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 212 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-Phenyl-2H-pyrazolo[4,3-c]quinoline )
Drug Name 2-Phenyl-2H-pyrazolo[4,3-c]quinoline
Target(s)
Adenosine A3 receptor (ADORA3)
Inhibitor