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
DrugBank ID
DB12810
TTD ID
D09DUQ

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.