General Information of the Compound
Compound ID
CP0485252
Compound Name
2-(3-bromophenyl)pyrido[2,3-d]pyrimidine
    Show/Hide
Synonyms
2-(3-bromophenyl)pyrido[2,3-d]pyrimidine
CHEMBL239197
    Show/Hide
Structure
Formula
C13H8BrN3
Molecular Weight
286.132
Canonical SMILES
Brc1cccc(c1)-c1ncc2cccnc2n1
    Show/Hide
InChI
InChI=1S/C13H8BrN3/c14-11-5-1-3-9(7-11)12-16-8-10-4-2-6-15-13(10)17-12/h1-8H
    Show/Hide
InChIKey
KOBJRMNXIZSOES-UHFFFAOYSA-N
Physicochemical Property
logP
3.4543
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
38.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
17

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44435039
ChEMBL ID
CHEMBL239197
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: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 333 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(3-bromophenyl)pyrido[2,3-d]pyrimidine )
Drug Name 2-(3-bromophenyl)pyrido[2,3-d]pyrimidine
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Inhibitor