General
Preferred name
S-Methylcysteine
Synonyms
S-Methyl-L-cysteine ()
L-S-Methylcysteine ()
S-methyl-L-Cysteine ()
P&D ID
PD008126
CAS
19651-44-6
7728-98-5
1187-84-4
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 S-methyl-L-Cysteine is a derivative of cysteine with diverse biological activities. It inhibits alanine-serine-cysteine transporter 1 (asc-1) with Ki = 6.6µM. It also has inhibitory activity against microbial and plant ureases. (Enamine Bioactive Compounds)
Compound Sets
7
Cayman Chemical Bioactives
33452
Drug Repurposing Hub
DrugBank
DB02216
DrugMAP
DMAMRKS
Enamine Bioactive Compounds
EBC-48145
MedChem Express Bioactive Compound Library
HY-B2188
Selleckchem Bioactive Compound Library
s-methyl-l-cysteine
External IDs
49
Properties
(calculated by RDKit )
Molecular Weight
135.04
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.24
TPSA
63.32
Fraction CSP3
0.75
Chiral centers
1.0
Largest ring
0.0
QED
0.56
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Target
CTSD, MGMT
Reactive Oxygen Species (ROS)
Source data