Details of the Drug

General Information of Drug (ID: DMXI8FP)

Drug Name
Cysteinesulfonic Acid
Synonyms
Cysteic Acid; 3-Sulfoalanine; 2-amino-3-sulfopropanoic acid; DL-CYSTEIC ACID; 13100-82-8; beta-Sulfoalanine; Alanine, 3-sulfo-; Cysteinic acid; Cysteric acid; Cipteic acid; Cepteic acid; 3024-83-7; CHEBI:21260; C-9550; 2-amino-3-sulfopropanoate; cysteinsaure; Cepteate; Cysterate; Cipteate; Cysteinesulfonate; NSC 254030; (2R)-2-amino-3-sulfo-propanoic acid; L-Cysteic acid, 8; ACMC-209kii; 3-Sulfoalanine, (L)-; 2-Amino-3-sulfopropionate; AC1L19KC; SCHEMBL44030; CHEMBL1171434; 2-amino-3-sulfopro-panoic acid; BDBM85473; CTK8G7889
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) 169.16
Logarithm of the Partition Coefficient (xlogp) -4.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C3H7NO5S
IUPAC Name
(2R)-2-amino-3-sulfopropanoic acid
Canonical SMILES
C([C@@H](C(=O)O)N)S(=O)(=O)O
InChI
InChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
InChIKey
XVOYSCVBGLVSOL-REOHCLBHSA-N
Cross-matching ID
PubChem CID
72886
ChEBI ID
CHEMBL17285
CAS Number
498-40-8
UNII
M6W2DJ6N5K
DrugBank ID
DB03661
TTD ID
D05AMX

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cathepsin L (CTSL) TT36ETB CATL1_HUMAN Inhibitor [1]
M-phase inducer phosphatase 2 (MPIP2) TTR0SWN MPIP2_HUMAN Inhibitor [1]
PTPN1 messenger RNA (PTPN1 mRNA) TTELIN2 PTN1_HUMAN Inhibitor [1]
Staphylococcus Peptide deformylase (Stap-coc def) TTICO5G DEF_STAAU Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
PTPN1 messenger RNA (PTPN1 mRNA) DTT PTPN1 9.44E-01 7.21E-03 0.08
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.