General
Preferred name
EMBELIN
Synonyms
NSC 91874 ()
Emberine ()
Embelic Acid ()
Embellin ()
Embelic Acid, NSC 91874 ()
Embelin ()
P&D ID
PD010648
CAS
550-24-3
Tags
available
drug candidate
natural product
nuisance
obsolete probe
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 Embelin (Embelic acid), a potent, nonpeptidic XIAP inhibitor (IC50=4.1 ¦ÌM), inhibits cell growth, induces apoptosis, and activates caspase-9 in prostate cancer cells with high levels of XIAP. Embelin blocks NF-kappaB signaling pathway leading to suppression of NF-kappaB-regulated antiapoptotic and metastatic gene products. Embelin also induces autophagic and apoptotic cell death in human oral squamous cell carcinoma cells[1][2][3].
PRICE 41
DESCRIPTION Orthosteric agonist of GPR84. (GtoPdb)
DESCRIPTION Inhibitor of X-linked inhibitor of apoptosis (XIAP); cell-permeable and antitumor (Tocriscreen Total)
DESCRIPTION Embelin (Embelic acid), isolated from the Japanese Ardisia herb, is an inhibitor of the X-linked inhibitor of apoptosis (IC50: 4.1 uM). (TargetMol Bioactive Compound Library)
DESCRIPTION Allosteric inhibitor of Bax channel activation (Tocris Bioactive Compound Library)
Cell lines
574
Organisms
2
Compound Sets
19
A Collection of Useful Nuisance Compounds (CONS) for Interrogation of Bioassay Integrity
AdooQ Bioactive Compound Library
A13055
Cayman Chemical Bioactives
11838
Concise Guide to Pharmacology 2021/22
11209
Concise Guide to Pharmacology 2023/24
11209
CZ-OPENSCREEN Bioactive Library
DrugMAP
DMFZO4Y
Guide to Pharmacology
11209
LINCS compound set
10294-101
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL221137
MedChem Express Bioactive Compound Library
HY-17473
Nuisance compounds in cellular assays
Obsolete Compounds
embelin
ReFrame library
Selleckchem Bioactive Compound Library
embelin
TargetMol Bioactive Compound Library
T6485
Tocris Bioactive Compound Library
2156
Tocriscreen Total
Welcome Trust Cancer Drugs
172
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
294.18
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
10
Ring Count
1
Aromatic Ring Count
0
cLogP
4.31
TPSA
74.6
Fraction CSP3
0.65
Chiral centers
0.0
Largest ring
6.0
QED
0.46
Structural alerts
5
quinone_A(370)
[!#6&!#1]=[#6]1[#6]=,:[#6][#6](=[!#6&!#1])[#6]=,:[#6]1
PAINS Family A
aggregator (Aggregator Advisor)
Aggregators
historic compounds (Chemical Probes.org)
Obsolete
aggregator (ZINC)
Aggregators
Nonspecific/NOS
Nuisance compounds
Custom attributes
(extracted from source data)
Pathway
apoptosis regulation
Apoptosis
Autophagy
GPCR/G protein
Immunology/Inflammation
Metabolism
NF-κB
NF-¦ÊB
Target
XIAP
IAP
Antineoplastic and Immunosuppressive Antibiotics,IAP
5-Lipoxygenase
mPGES-1
Primary Target
Inhibitor of Apoptosis
MOA
Inhibitor
Nuisance MOA
quinone
Targets
XIAP
Source data