Details of the Drug

General Information of Drug (ID: DM06BGV)

Drug Name
RU79256
Synonyms
D-Sulfophenylacetic acid; RU79256; PHENYL(SULFO)ACETIC ACID; 39925-38-7; 1o4q; AC1L9KY4; (R)-phenyl(sulfo)acetic acid; (2R)-phenyl(sulfo)ethanoic acid; ZINC1681752; (2R)-2-phenyl-2-sulfoacetic acid; DB01866; [R,( )]-alpha-Sulfobenzeneacetic acid; AJ-29699; Benzeneacetic acid, alpha-sulfo-, (alphaR)-
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): 0 Molecular Weight (mw) 216.21
Logarithm of the Partition Coefficient (xlogp) 0.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C8H8O5S
IUPAC Name
(2R)-2-phenyl-2-sulfoacetic acid
Canonical SMILES
C1=CC=C(C=C1)[C@H](C(=O)O)S(=O)(=O)O
InChI
InChI=1S/C8H8O5S/c9-8(10)7(14(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12,13)/t7-/m1/s1
InChIKey
USNMCXDGQQVYSW-SSDOTTSWSA-N
Cross-matching ID
PubChem CID
447536
DrugBank ID
DB01866
TTD ID
D09NGN

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Proto-oncogene c-Src (SRC) TT6PKBN SRC_HUMAN 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
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 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.