Details of the Drug

General Information of Drug (ID: DMRNGK7)

Drug Name

2-Cinnamamido-N4-hexyl-N1-hydroxysuccinamide

Synonyms

CHEMBL595209; 2-Cinnamamido-N4-hexyl-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): 1

Molecular Weight (mw)

361.4

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

11

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C19H27N3O4
IUPAC Name: (2R)-N'-hexyl-N-hydroxy-2-[[(E)-3-phenylprop-2-enoyl]amino]butanediamide
Canonical SMILES: CCCCCCNC(=O)C[C@H](C(=O)NO)NC(=O)/C=C/C1=CC=CC=C1
InChI: InChI=1S/C19H27N3O4/c1-2-3-4-8-13-20-18(24)14-16(19(25)22-26)21-17(23)12-11-15-9-6-5-7-10-15/h5-7,9-12,16,26H,2-4,8,13-14H2,1H3,(H,20,24)(H,21,23)(H,22,25)/b12-11+/t16-/m1/s1
InChIKey: AOIMNHYQILMKAB-LPQFERQCSA-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.