Details of the Drug

General Information of Drug (ID: DMI6FZN)

Drug Name

2-Cinnamamido-N1-hydroxy-N4-pentylsuccinamide

Synonyms

CHEMBL596560; 2-Cinnamamido-N1-hydroxy-N4-pentylsuccinamide

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)

347.4

Logarithm of the Partition Coefficient (xlogp)

1.6

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C18H25N3O4
IUPAC Name: (2R)-N-hydroxy-N'-pentyl-2-[[(E)-3-phenylprop-2-enoyl]amino]butanediamide
Canonical SMILES: CCCCCNC(=O)C[C@H](C(=O)NO)NC(=O)/C=C/C1=CC=CC=C1
InChI: InChI=1S/C18H25N3O4/c1-2-3-7-12-19-17(23)13-15(18(24)21-25)20-16(22)11-10-14-8-5-4-6-9-14/h4-6,8-11,15,25H,2-3,7,12-13H2,1H3,(H,19,23)(H,20,22)(H,21,24)/b11-10+/t15-/m1/s1
InChIKey: GEWJSTSZXRZGCY-AUECHBEKSA-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.