General Information of the Compound
Compound ID
CP0506358
Compound Name
N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine
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Synonyms
BDBM50311878
CHEMBL1080998
N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine
SCHEMBL2101452
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Structure
Formula
C15H12ClN3O
Molecular Weight
285.734
Canonical SMILES
COc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
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InChI
InChI=1S/C15H12ClN3O/c1-20-12-5-6-14-13(8-12)15(18-9-17-14)19-11-4-2-3-10(16)7-11/h2-9H,1H3,(H,17,18,19)
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InChIKey
JDEKFVYZUIPHET-UHFFFAOYSA-N
Physicochemical Property
logP
4.0354
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
47.04
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 19595108
SID: 56332582
ChEMBL ID
CHEMBL1080998
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 = 1510 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine )
Drug Name N-(3-chlorophenyl)-6-methoxyquinazolin-4-amine
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Inhibitor