General
Preferred name
TMS
Synonyms
(E)-2,3',4,5'-tetramethoxystilbene ()
2,3',4,5'-Tetramethoxystilbene ()
P&D ID
PD021493
CAS
24144-92-1
Tags
available
probe
Probe info
Probe type
P&D approved
calculated probe
Probe selectivity
protein-selective
Probe sources
Probe Miner (suitable probes)
Probe targets
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 2,3',4,5'-Tetramethoxystilbene (TMS) is a selective and competitive CYP1B1 inhibitor. It is a resveratrol derivative. (GtoPdb)
DESCRIPTION TMS ((E)-2,3',4,5'-tetramethoxystilbene) is a selective and competitive CYP1B1 inhibitor with an IC50 of 6 nM and a Ki value of 3 nM. TMS shows a lesser extent inhibitory effect on CYP1A1 (IC50=300 nM) and CYP1A2 (IC50=3.1 ¦ÌM). TMS is a methylated derivative of resveratrol and has anti-cancer activity[1][2][3].
PRICE 53
DESCRIPTION Cytochrome P450 1B1 inhibitor (Tocriscreen Plus)
DESCRIPTION Cytochrome P450 1B1 inhibitor (Tocriscreen Total)
DESCRIPTION TMS (2,3',4,5'-Tetramethoxystilbene) is a very selective and potent competitive inhibitor of P450 1B1 (CYP1A1). (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
0
Compound Sets
12
Axon Medchem Screening Library
2628
Cayman Chemical Bioactives
10038
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
EU-OPENSCREEN Bioactive Compound Library
EOS100540
Guide to Pharmacology
12963
MedChem Express Bioactive Compound Library
HY-19340
Probe Miner (suitable probes)
Q16678/1307504
Selleckchem Bioactive Compound Library
tms
TargetMol Bioactive Compound Library
T3585
Tocriscreen Plus
1509
Tocriscreen Total
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
300.14
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
6
Ring Count
2
Aromatic Ring Count
2
cLogP
3.89
TPSA
36.92
Fraction CSP3
0.22
Chiral centers
0.0
Largest ring
6.0
QED
0.76
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
Enzymes
Target
CYP450 1B1
Cytochrome P450
CYP1B1 inhibitor
P450 (e.g. CYP17)
Pathway
Metabolic Enzyme/Protease
Metabolism
Source data