General
Preferred name
ROTTLERIN
Synonyms
ML222 ()
Mallotoxin ()
NSC 56346 ()
NSC 94525 ()
PMID26560530-Compound-35 ()
Mallotoxin, NSC 56346, NSC 94525 ()
P&D ID
PD014867
CAS
82-08-6
Tags
probe
natural product
drug candidate
nuisance
obsolete probe
available
Drug indication
Parkinson disease
Probe info
Probe type
experimental probe
Probe sources
MLP Probes
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Rottlerin is a naturally occurring compound that was isolated from Mallotus philippinensis. Rottlerin has been reported as an ATP-competitive inhibitor of protein kinases with some selectivity for the protein kinase C family isoenzymes . It can be used to differentiate between PKC isoenzymes, having around 10-fold selectivity for PKCδ over PKC α/β/γ and ~30-fold compared to PKC ε/η/ζ
(GtoPdb)
DESCRIPTION
PKC and CaM kinase III inhibitor
(LOPAC library)
DESCRIPTION
Rottlerin, a principal phenolic compound of the Kamala plant Mallotus philippinensis, originally reported to inhibit PKC isoforms, especially PKCδ and CAM-KIII. Recently, it has been shown to inhibit a wide range of protein kinases, and most potently to inhibit PRAK and MAPKAP-K2 (IC50 values are 1.9 and 5 μM respectively).
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
4
Organisms
3
Compound Sets
13
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
CZ-OPENSCREEN Bioactive Library
Guide to Pharmacology
LOPAC library
MedChem Express Bioactive Compound Library
MLP Probes
MLSMR Probes +
Nuisance compounds in cellular assays
Obsolete Compounds
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
Molecular Weight
516.18
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
5
Rotatable Bonds
6
Ring Count
4
Aromatic Ring Count
3
cLogP
5.4
TPSA
144.52
Fraction CSP3
0.2
Chiral centers
0.0
Largest ring
6.0
QED
0.22
Structural alerts
5
aggregator (Aggregator Advisor)
Aggregators
historic compounds (Chemical Probes.org)
Obsolete
aggregator (ZINC)
Aggregators
Aggregator (Nuisance compounds in cellular assays)
Aggregators
Aggregation
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Classification
Probe
Selectivity
PKC / CaM Kinase III
Pathway
Cytoskeletal Signaling
Apoptosis
Autophagy
Anti-infection
Epigenetics
TGF-beta/Smad
Target
PKC??
CKII
PKA
CaM kinase III
HIV
PKC
RABV
Solubility
In vitro:<br/>10 mM in DMSO
Source data
