Details of the Drug

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]
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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

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

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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)

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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.