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
UNII
FB8KIA847T
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.