General Information of the Compound
Compound ID
CP0441374
Compound Name
2-(1-phenylethyl)-3-p-tolyl-2,3-dihydroquinazolin-4(1H)-one
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Synonyms
VU 0092145
VU0092145
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Structure
Formula
C23H22N2O
Molecular Weight
342.442
Canonical SMILES
CC(C1Nc2ccccc2C(=O)N1c1ccc(C)cc1)c1ccccc1
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InChI
InChI=1S/C23H22N2O/c1-16-12-14-19(15-13-16)25-22(17(2)18-8-4-3-5-9-18)24-21-11-7-6-10-20(21)23(25)26/h3-15,17,22,24H,1-2H3
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InChIKey
QZAOSZVJAXUJFE-UHFFFAOYSA-N
Physicochemical Property
logP
5.19712
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 4052597
SID: 57303810
ChEMBL ID
CHEMBL473806
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 3000 nM
   TI
   LI
   LO
   TS
CL000051 BHK-21 Mesocricetus auratus (Golden hamster)  1
1
EC50 = 3000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( VU0092145 )
Drug Name VU0092145
Target(s)
Metabotropic glutamate receptor 4 (mGluR4)
Modulator (allosteric modulator)