Details of the Drug

General Information of Drug (ID: DM4GZUJ)

Drug Name
Cysteine Sulfenic Acid
Synonyms
S-Hydroxycysteine; s-hydroxy-l-cysteine; Cysteinesulfenic acid; Cys-sulfenic acid; L-cysteinesulfenic acid; UNII-FB8KIA847T; L-Cysteinsulfensaeure; Alanine, 3-sulfeno-; Cys(OH); FB8KIA847T; L-2-amino-3-sulfeno-propionic acid; 5722-80-5; 2-amino-3-hydroxysulfanylpropionic acid; Cysteine-sulfenic acid; L-Alanine, 3-sulfeno-; S-(Propylcarbamoyl)cysteine; AC1Q5QNT; AC1L4WIO; SCHEMBL333356; CHEBI:41710; CTK1H0247; AKOS006339917; DB01915; L-Cysteine, S-[(propylamino)carbonyl]-; 73243-12-6
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 137.16
Logarithm of the Partition Coefficient (xlogp) -3.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C3H7NO3S
IUPAC Name
(2R)-2-amino-3-hydroxysulfanylpropanoic acid
Canonical SMILES
C([C@@H](C(=O)O)N)SO
InChI
InChI=1S/C3H7NO3S/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey
FXIRVRPOOYSARH-REOHCLBHSA-N
Cross-matching ID
PubChem CID
165339
ChEBI ID
CHEBI:41710
CAS Number
5722-80-5
DrugBank ID
DB01915
TTD ID
D0V6UC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Complement C3 (CO3) TTJGY7A CO3_HUMAN Inhibitor [1]
M-phase inducer phosphatase 2 (MPIP2) TTR0SWN MPIP2_HUMAN Inhibitor [2]
Proto-oncogene c-Src (SRC) TT6PKBN SRC_HUMAN Inhibitor [2]
PTPN1 messenger RNA (PTPN1 mRNA) TTELIN2 PTN1_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Proto-oncogene c-Src (SRC) DTT SRC 6.45E-01 -0.08 -0.58
Proto-oncogene c-Src (SRC) DTT SRC 2.08E-03 -0.52 -1.62
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2 DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.