Details of the Drug

General Information of Drug (ID: DM8B2WQ)

Drug Name
AN-2718
Synonyms Boron-based leucyl-tRNA synthetase inhibitor (topical, fungal infections), Anacor
Indication
Disease Entry ICD 11 Status REF
Fungal infection 1F29-1F2F Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 168.39
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 0
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Chemical Identifiers
Formula
C7H6BClO2
IUPAC Name
5-chloro-1-hydroxy-3H-2,1-benzoxaborole
Canonical SMILES
B1(C2=C(CO1)C=C(C=C2)Cl)O
InChI
InChI=1S/C7H6BClO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
InChIKey
HMAFTPZYFJFEHK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11845944
CAS Number
174672-06-1
UNII
810U6C2DGG
DrugBank ID
DB12810
TTD ID
D09DUQ
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
Staphylococcus Leucyl-tRNA synthetase (Stap-coc leuS) TT37GL6 SYL_STAAE Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800019312)
2 Metalloid compounds as drugs. Res Pharm Sci. 2013 Jul-Sep; 8(3): 145-158.