General Information of the Compound
Compound ID
CP0320098
Compound Name
2-Furan-2-yl-3-phenethyl-3H-quinazolin-4-one
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Synonyms
2-(2-furyl)-3-(2-phenylethyl)-3-hydroquinazolin-4-one
2-(2-furyl)-3-(2-phenylethyl)-4(3H)-quinazolinone
2-(2-furyl)-3-phenethyl-4(3H)-quinazolinone
2-(furan-2-yl)-3-(2-phenylethyl)quinazolin-4(3H)-one
2-(furan-2-yl)-3-phenethylquinazolin-4-one
2-Furan-2-yl-3-phenethyl-3H-quinazolin-4-one
A1715/0073151
AC1LEB94
AG-205/11559428
AKOS005593239
BDBM50162542
CHEMBL180336
J3.621.250K
MCULE-4160039246
NPS-53574
Oprea1_070906
SR-01000416527
SR-01000416527-1
ST008066
STK674065
ZINC49416
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Structure
Formula
C20H16N2O2
Molecular Weight
316.36
Canonical SMILES
O=c1n(CCc2ccccc2)c(nc2ccccc12)-c1ccco1
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InChI
InChI=1S/C20H16N2O2/c23-20-16-9-4-5-10-17(16)21-19(18-11-6-14-24-18)22(20)13-12-15-7-2-1-3-8-15/h1-11,14H,12-13H2
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InChIKey
ZFIMKOHGGKYLGR-UHFFFAOYSA-N
Physicochemical Property
logP
3.8992
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
48.03
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 683379
SID: 16561032
ChEMBL ID
CHEMBL180336
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: PT01916, Extracellular calcium-sensing receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 3500 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3500 nM
Clinical Information about the Compound
Drug 1 ( 2-Furan-2-yl-3-phenethyl-3H-quinazolin-4-one )
Drug Name 2-Furan-2-yl-3-phenethyl-3H-quinazolin-4-one
Target(s)
Extracellular calcium-sensing receptor (CASR)
 Target Info 
Inhibitor