General Information of the Compound
Compound ID
CP0502620
Compound Name
6-bromo-N-m-tolylquinazolin-4-amine
    Show/Hide
Synonyms
(6-bromoquinazolin-4-yl)(3-methylphenyl)amine
6-bromo-N-(3-methylphenyl)-4-quinazolinamine
6-bromo-N-(3-methylphenyl)quinazolin-4-amine
6-bromo-N-m-tolylquinazolin-4-amine
AC1LEZQQ
AKOS002348862
BDBM50311883
CHEMBL1081537
EU-0043981
HMS2596L23
HMS3380E09
MCULE-2560701920
MLS000684595
MolPort-000-660-263
Neuro1_000540
Oprea1_147022
SCHEMBL4349199
SMR000268469
SR-01000485095
ST50477342
ZINC122234
    Show/Hide
Structure
Formula
C15H12BrN3
Molecular Weight
314.186
Canonical SMILES
Cc1cccc(Nc2ncnc3ccc(Br)cc23)c1
    Show/Hide
InChI
InChI=1S/C15H12BrN3/c1-10-3-2-4-12(7-10)19-15-13-8-11(16)5-6-14(13)17-9-18-15/h2-9H,1H3,(H,17,18,19)
    Show/Hide
InChIKey
CGCSONSXFOSORP-UHFFFAOYSA-N
Physicochemical Property
logP
4.44432
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
37.81
Hydrogen Bond Donor Count
1
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 720633
ChEMBL ID
CHEMBL1081537
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 246 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 6-bromo-N-m-tolylquinazolin-4-amine )
Drug Name 6-bromo-N-m-tolylquinazolin-4-amine
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Inhibitor