Details of the Drug

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
CHEMBL378506
CAS Number
5735-41-1
TTD ID
D0G0ZI
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.