General
Preferred name
ALPHA-NAPHTHOFLAVONE
Synonyms
7,8-benzoflavone ()
.alpha.-Naphthoflavone ()
P&D ID
PD005171
CAS
604-59-1
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Alpha-Naphthoflavone is an orally active flavonoid that is a potent, competitive inhibitor of aromatase< b>aromatase. < b > IC < sub > 50 < / sub > < / b > and < b > K < sub > I < / sub > < / b > value were 0.5 and 0.2 microns. Alpha-Naphthoflavone can inhibit cell proliferation and induce apoptosis[1][2][3][4].
PRICE 40
DESCRIPTION alpha-Naphthoflavone (7,8-benzoflavone), a synthetic flavonoid, is a potent inhibitor of aromatase with an I50 value of 0.5 ??M.
DESCRIPTION alpha-Naphthoflavone (7,8-benzoflavone), a synthetic flavonoid, is a potent inhibitor of aromatase with an I50 value of 0.5 μM. (TargetMol Bioactive Compound Library)
Cell lines
3
Organisms
0
Compound Sets
9
Cayman Chemical Bioactives
16924
DrugBank
DB07453
DrugMAP
DMELOIQ
EUbOPEN Chemogenomics Library
EUB0000087
MedChem Express Bioactive Compound Library
HY-125833
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
alpha-naphthoflavone
TargetMol Bioactive Compound Library
T2O2744
ZINC Tool Compounds
ZINC000000038933
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
272.08
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
4
Aromatic Ring Count
4
cLogP
4.61
TPSA
30.21
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Aromatase
Apoptosis
Aryl hydrocarbon receptor
Cytochrome P450
Member status
member
MOA
Breast Cancer-Resistant Protein (BCRP
ABCG2) Inhibitors
Nuclear Factor, Erythroid Derived 2, Like 2 (Nrf2) Activators
Pathway
Immunology/Inflammation
Metabolic Enzyme/Protease
Endocrinology/Hormones
Recommended Cell Concentration
None
Source data