General Information of the Compound
Compound ID
CP0511713
Compound Name
3-Phenyl-1-propylquinazoline-2,4(1H,3H)-dione
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Synonyms
3-Phenyl-1-propylquinazoline-2,4(1H,3H)-dione
AKOS003747776
BDBM50251664
CHEMBL479747
MCULE-9417936038
MolPort-002-665-959
STK789842
ZINC6670445
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Structure
Formula
C17H16N2O2
Molecular Weight
280.327
Canonical SMILES
CCCn1c2ccccc2c(=O)n(-c2ccccc2)c1=O
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InChI
InChI=1S/C17H16N2O2/c1-2-12-18-15-11-7-6-10-14(15)16(20)19(17(18)21)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
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InChIKey
HDWMSIFMWUKWBC-UHFFFAOYSA-N
Physicochemical Property
logP
2.5624
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
44
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 17067759
ChEMBL ID
CHEMBL479747
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: PT01172, Progesterone receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 18000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000078 T-47D
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 23000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-Phenyl-1-propylquinazoline-2,4(1H,3H)-dione )
Drug Name 3-Phenyl-1-propylquinazoline-2,4(1H,3H)-dione
Target(s)
Progesterone receptor (PGR)
 Target Info 
Inhibitor