General Information of Drug (ID: DM1N73J)

Drug Name
N4-Butyl-2-cinnamamido-N1-hydroxysuccinamide
Synonyms CHEMBL596553; N4-Butyl-2-cinnamamido-N1-hydroxysuccinamide
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) 333.4
Logarithm of the Partition Coefficient (xlogp) 1
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C17H23N3O4
IUPAC Name
(2R)-N'-butyl-N-hydroxy-2-[[(E)-3-phenylprop-2-enoyl]amino]butanediamide
Canonical SMILES
CCCCNC(=O)C[C@H](C(=O)NO)NC(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C17H23N3O4/c1-2-3-11-18-16(22)12-14(17(23)20-24)19-15(21)10-9-13-7-5-4-6-8-13/h4-10,14,24H,2-3,11-12H2,1H3,(H,18,22)(H,19,21)(H,20,23)/b10-9+/t14-/m1/s1
InChIKey
INBRHSSIAXLSEI-ATWMFIQVSA-N
Cross-matching ID
PubChem CID
45257110
TTD ID
D0J0WJ

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 Design, synthesis, and preliminary studies of the activity of novel derivatives of N-cinnamoyl-L-aspartic acid as inhibitors of aminopeptidase N/CD13. Bioorg Med Chem. 2009 Oct 15;17(20):7398-404.