Details of the Drug

General Information of Drug (ID: DMAMRKS)

Drug Name
S-Methylcysteine
Synonyms
7728-98-5; H-DL-Cys(Me)-OH; H-D-HoCys-OH; S-Methyl-DL-cysteine; USAF CB-24; Methylcysteine; 2-amino-3-(methylsulfanyl)propanoic acid; 19651-44-6; 1-carboxy-2-methylthioethylamine; Methylcysteine, L-; ALANINE, 3-(METHYLTHIO)-, L-; EINECS 231-787-0; Methylcysteine #; S-Methyl cysteine; DL-S-Methylcysteine; DL-S-Methyl-Cys-OH; DL-Cysteine, S-methyl-; AC1Q5S9H; AC1L5E8F; SCHEMBL110459; ACMC-209a03; IDIDJDIHTAOVLG-UHFFFAOYSA-; CTK0E0884; IDIDJDIHTAOVLG-UHFFFAOYSA-N; MolPort-003-876-437; NSC15387; NSC-15387; AKOS022154885
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 135.19
Logarithm of the Partition Coefficient (xlogp) -2.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C4H9NO2S
IUPAC Name
(2R)-2-amino-3-methylsulfanylpropanoic acid
Canonical SMILES
CSC[C@@H](C(=O)O)N
InChI
InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKey
IDIDJDIHTAOVLG-VKHMYHEASA-N
Cross-matching ID
PubChem CID
24417
ChEBI ID
CHEMBL45658
CAS Number
1187-84-4
UNII
A34I1H07YM
DrugBank ID
DB02216
TTD ID
D0CU4Q

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cathepsin D (CTSD) TTPT2QI CATD_HUMAN Inhibitor [1]
O-6-methylguanine-DNA-alkyltransferase (MGMT) TTJ8DV7 MGMT_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.