General Information of the Compound
Compound ID
CP0283224
Compound Name
3-arylquinazolinone, 1au
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Synonyms
3-arylquinazolinone, 1au
5,7-dihydroxy-3-phenyl-3H-quinazolin-4-one
BDBM19929
CHEMBL378572
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Structure
Formula
C14H10N2O3
Molecular Weight
254.245
Canonical SMILES
Oc1cc(O)c2c(c1)ncn(-c1ccccc1)c2=O
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InChI
InChI=1S/C14H10N2O3/c17-10-6-11-13(12(18)7-10)14(19)16(8-15-11)9-4-2-1-3-5-9/h1-8,17-18H
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InChIKey
LUBZIRZXRMLBKH-UHFFFAOYSA-N
Physicochemical Property
logP
1.7969
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
75.35
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 11579722
SID: 16682089
ChEMBL ID
CHEMBL378572
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: PT00889, Estrogen receptor beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 1721 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 18472 nM
Clinical Information about the Compound
Drug 1 ( 5,7-dihydroxy-3-phenyl-3H-quinazolin-4-one )
Drug Name 5,7-dihydroxy-3-phenyl-3H-quinazolin-4-one
Target(s)
Estrogen receptor beta (ESR2)
Inhibitor