Details of the Drug

General Information of Drug (ID: DMWMFTJ)

Drug Name
2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE
Synonyms SB-543668; 2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE; N-[2-(3-benzoylphenoxy)ethyl]-N-hydroxyformamide; SB8; AC1NRD38; SCHEMBL6245513; BDBM21684; DB08524
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 (mw) 285.29
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H15NO4
IUPAC Name
N-[2-(3-benzoylphenoxy)ethyl]-N-hydroxyformamide
Canonical SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)OCCN(C=O)O
InChI
InChI=1S/C16H15NO4/c18-12-17(20)9-10-21-15-8-4-7-14(11-15)16(19)13-5-2-1-3-6-13/h1-8,11-12,20H,9-10H2
InChIKey
ZHFKBNAHHTUQBH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5289330
DrugBank ID
DB08524
TTD ID
D02ZLE
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 Peptide deformylase (Stap-coc def) TTICO5G DEF_STAAU Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.