General
Preferred name
APIGENIN
Synonyms
Apigenol ()
C.I. Natural Yellow 1 ()
4',5,7-Trihydroxyflavone ()
NSC 83244 ()
LY 080400 ()
Apigenin (LY 080400) ()
NSC-83244 ()
Apigenin-d5 ()
P&D ID
PD002200
CAS
520-36-5
461015-54-3
263711-74-6
Tags
obsolete probe
drug candidate
nuisance
natural product
available
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 Inhibits RNA polymerase (Tocris Bioactive Compound Library)
DESCRIPTION Arrests cell cycle at G2/M phase (LOPAC library)
DESCRIPTION Protein kinase inhibitor (Tocriscreen Total)
Cell lines
10
Organisms
13
Compound Sets
22
AdooQ Bioactive Compound Library
A10081
Cayman Chemical Bioactives
10010275
22106
Concise Guide to Pharmacology 2017/18
4136
Concise Guide to Pharmacology 2019/20
4136
Concise Guide to Pharmacology 2021/22
4136
Concise Guide to Pharmacology 2023/24
4136
Drug Repurposing Hub
DrugBank
DB07352
DrugMAP
DMI3491
Guide to Pharmacology
4136
IPPI - DB
1726
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL28
MedChem Express Bioactive Compound Library
HY-N1201
Nuisance compounds in cellular assays
Obsolete Compounds
apigenin
ReFrame library
Selleckchem Bioactive Compound Library
Apigenin
TargetMol Bioactive Compound Library
T2175
The Spectrum Collection
Tocris Bioactive Compound Library
1227
Tocriscreen Total
External IDs
50
Properties
(calculated by RDKit )
Molecular Weight
270.05
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
3
cLogP
2.58
TPSA
90.9
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.63
Structural alerts
4
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Nonspecific/NOS
Flavonoid
Nuisance compounds in cellular assays
historic compounds (Chemical Probes.org)
Obsolete
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Autophagy
Metabolic Enzyme/Protease
Target
CYP2C9
AKR1B1, AR, CDK6, CFTR, CYP19A1, CYP1B1, HSD17B1
Cytochrome P450
Endogenous Metabolite
P450 (e.g. CYP17)
Primary Target
Broad Spectrum Protein Kinase Inhibitors
MOA
Inhibitor
casein kinase inhibitor, cell proliferation inhibitor
Source data