General Information of Drug (ID: DMZR02J)

Drug Name
Benzo[c][1,2]oxaborol-1(3H)-ol
Synonyms
5735-41-1; 1-Hydroxy-2,1-benzoxaborolane; benzo[c][1,2]oxaborol-1(3H)-ol; 2,1-benzoxaborol-1(3h)-ol; monoester; 1,3-dihydro-1-hydroxy-2,1-benzoxaborole; 1,3-DIHYDRO-2,1-BENZOXABOROL-1-OL; 2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-; CHEBI:78238; 1-hydroxy-3H-2,1-benzoxaborole; 2-(Hydroxymethyl)phenylboronic Acid Cyclic Monoester; 2-(HYDROXYMETHYL)PHENYLBORONIC ACID, DEHYDRATE; KSC-6-288; NSC719278; PubChem5079; 2,1-benzoxaborol-1-ol; 2-Oxa-1-boraindan-1-ol; AMTB152; C7H7BO2; 3H-2,1-benzoxaborol-1-ol; 1-hydroxy-2,1-benzoxaborole
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 133.94
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 0
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Chemical Identifiers
Formula
C7H7BO2
IUPAC Name
1-hydroxy-3H-2,1-benzoxaborole
Canonical SMILES
B1(C2=CC=CC=C2CO1)O
InChI
InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2
InChIKey
XOQABDOICLHPIS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
403788
ChEBI ID
CHEBI:78238
CAS Number
5735-41-1
TTD ID
D0G0ZI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial DD-carboxypeptidase (Bact vanYB) TTLP6GN VANY_ENTFA Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors. J Med Chem. 2009 Oct 8;52(19):6097-106.