Details of the Drug

General Information of Drug (ID: DMXSFWK)

Drug Name
N1-benzyl-N3-hydroxy-2-isobutylmalonamide
Synonyms CHEMBL220253; N1-benzyl-N3-hydroxy-2-isobutylmalonamide; BDBM50197494
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) 264.32
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H20N2O3
IUPAC Name
N-benzyl-N'-hydroxy-2-(2-methylpropyl)propanediamide
Canonical SMILES
CC(C)CC(C(=O)NCC1=CC=CC=C1)C(=O)NO
InChI
InChI=1S/C14H20N2O3/c1-10(2)8-12(14(18)16-19)13(17)15-9-11-6-4-3-5-7-11/h3-7,10,12,19H,8-9H2,1-2H3,(H,15,17)(H,16,18)
InChIKey
BOQZRPQZGWWCDJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16116576
TTD ID
D06TVS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aminopeptidase N (ANPEP) TTPHMWB AMPN_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Aminopeptidase N (ANPEP) DTT ANPEP 8.84E-07 -0.3 -0.71
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 A library of novel hydroxamic acids targeting the metallo-protease family: design, parallel synthesis and screening. Bioorg Med Chem. 2007 Jan 1;15(1):63-76.