Details of the Drug

General Information of Drug (ID: DMUSHZK)

Drug Name
N-hydroxy-4-(oleamidomethyl)benzamide
Synonyms CHEMBL271701
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): 2 Molecular Weight (mw) 430.6
Topological Polar Surface Area (xlogp) 7.3
Rotatable Bond Count (rotbonds) 18
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C26H42N2O3
IUPAC Name
N-hydroxy-4-[[[(Z)-octadec-9-enoyl]amino]methyl]benzamide
Canonical SMILES
CCCCCCCC/C=C\\CCCCCCCC(=O)NCC1=CC=C(C=C1)C(=O)NO
InChI
InChI=1S/C26H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(29)27-22-23-18-20-24(21-19-23)26(30)28-31/h9-10,18-21,31H,2-8,11-17,22H2,1H3,(H,27,29)(H,28,30)/b10-9-
InChIKey
SINCREJZYIHLQD-KTKRTIGZSA-N
Cross-matching ID
PubChem CID
44454442
TTD ID
D0EL3A

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Lethal factor (Bact lef) TTIQSC1 LEF_BACAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Inhibitors of anthrax lethal factor based upon N-oleoyldopamine. Bioorg Med Chem Lett. 2008 Apr 1;18(7):2467-70.
2 Anti-toxin antibodies in prophylaxis and treatment of inhalation anthrax.Future Microbiol.2009 Feb;4(1):35-43.
3 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
4 Amiodarone and bepridil inhibit anthrax toxin entry into host cells. Antimicrob Agents Chemother. 2007 Jul;51(7):2403-11.
5 The discovery of a potent and selective lethal factor inhibitor for adjunct therapy of anthrax infection. Bioorg Med Chem Lett. 2006 Feb 15;16(4):964-8.
6 Novel small-molecule inhibitors of anthrax lethal factor identified by high-throughput screening. J Med Chem. 2006 Aug 24;49(17):5232-44.
7 Inhibitors of anthrax lethal factor. Bioorg Med Chem Lett. 2007 Aug 15;17(16):4575-8.