Details of the Drug

General Information of Drug (ID: DMKELRB)

Drug Name

N-hydroxy-4-(2-oleamidoethyl)benzamide

Synonyms

CHEMBL251734; N-hydroxy-4-(2-oleamidoethyl)benzamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

444.6

Logarithm of the Partition Coefficient (xlogp)

7.8

Rotatable Bond Count (rotbonds)

19

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C27H44N2O3
IUPAC Name: N-hydroxy-4-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]benzamide
Canonical SMILES: CCCCCCCC/C=C\\CCCCCCCC(=O)NCCC1=CC=C(C=C1)C(=O)NO
InChI: InChI=1S/C27H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-23-22-24-18-20-25(21-19-24)27(31)29-32/h9-10,18-21,32H,2-8,11-17,22-23H2,1H3,(H,28,30)(H,29,31)/b10-9-
InChIKey: NGQCNQPGVUJPCK-KTKRTIGZSA-N

Cross-matching ID

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]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Inhibitors of anthrax lethal factor. Bioorg Med Chem Lett. 2007 Aug 15;17(16):4575-8.