Details of the Drug

General Information of Drug (ID: DMDJUZX)

Drug Name

N7-hydroxy-N1-phenyl-2-propoxyheptanediamide

Synonyms

CHEMBL251406; N7-hydroxy-N1-phenyl-2-propoxyheptanediamide; SCHEMBL8144856

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)

308.37

Logarithm of the Partition Coefficient (xlogp)

1.7

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C16H24N2O4
IUPAC Name: N'-hydroxy-N-phenyl-2-propoxyheptanediamide
Canonical SMILES: CCCOC(CCCCC(=O)NO)C(=O)NC1=CC=CC=C1
InChI: InChI=1S/C16H24N2O4/c1-2-12-22-14(10-6-7-11-15(19)18-21)16(20)17-13-8-4-3-5-9-13/h3-5,8-9,14,21H,2,6-7,10-12H2,1H3,(H,17,20)(H,18,19)
InChIKey: HYIYBZGKHUILKH-UHFFFAOYSA-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
Histone deacetylase 2 (HDAC2)	DTT	HDAC2	8.48E-01	-7.29E-04	-4.65E-03

Molecular Expression Atlas (MEA)

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References

1	Omega-alkoxy analogues of SAHA (vorinostat) as inhibitors of HDAC: a study of chain-length and stereochemical dependence. Bioorg Med Chem Lett. 2007 Nov 15;17(22):6261-5.