General Information of the Compound
Compound ID
CP0495656
Compound Name
2-(3-bromophenyl)-7-methylpyrido[2,3-d]pyrimidine
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Synonyms
2-(3-bromophenyl)-7-methylpyrido[2,3-d]pyrimidine
CHEMBL396346
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Structure
Formula
C14H10BrN3
Molecular Weight
300.159
Canonical SMILES
Cc1ccc2cnc(nc2n1)-c1cccc(Br)c1
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InChI
InChI=1S/C14H10BrN3/c1-9-5-6-11-8-16-13(18-14(11)17-9)10-3-2-4-12(15)7-10/h2-8H,1H3
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InChIKey
QTHPZWOJWWROSA-UHFFFAOYSA-N
Physicochemical Property
logP
3.76272
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
38.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 44435028
ChEMBL ID
CHEMBL396346
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 = 38 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(3-bromophenyl)-7-methylpyrido[2,3-d]pyrimidine )
Drug Name 2-(3-bromophenyl)-7-methylpyrido[2,3-d]pyrimidine
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Inhibitor