Details of the Drug

General Information of Drug (ID: DMLK0J8)

Drug Name
N-2-Thiophen-2-Yl-Acetamide Boronic Acid
Synonyms AC1L9IFX
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 199.04
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Chemical Identifiers
Formula
C7H10BNO3S
IUPAC Name
[(2-thiophen-2-ylacetyl)amino]methylboronic acid
Canonical SMILES
B(CNC(=O)CC1=CC=CS1)(O)O
InChI
InChI=1S/C7H10BNO3S/c10-7(9-5-8(11)12)4-6-2-1-3-13-6/h1-3,11-12H,4-5H2,(H,9,10)
InChIKey
VXAPSUDMBNWYNC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2671
CAS Number
448211-54-9
UNII
8KWZ834LZM
DrugBank ID
DB02094
TTD ID
D06GYI
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Staphylococcus Beta-lactamase (Stap-coc blaZ) TTHI19T BLAC_STAAU 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.