Details of the Drug

General Information of Drug (ID: DM4QR2C)

Drug Name

N-(4-hydroxyphenylpropanyl)-spermine

Synonyms

CHEMBL1096289; N-(4-hydroxyphenylpropanyl)-spermine

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)

334.5

Logarithm of the Partition Coefficient (xlogp)

1.1

Rotatable Bond Count (rotbonds)

15

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C19H34N4O
IUPAC Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-phenylpropanamide
Canonical SMILES: C1=CC=C(C=C1)CCC(=O)NCCCNCCCCNCCCN
InChI: InChI=1S/C19H34N4O/c20-12-6-15-21-13-4-5-14-22-16-7-17-23-19(24)11-10-18-8-2-1-3-9-18/h1-3,8-9,21-22H,4-7,10-17,20H2,(H,23,24)
InChIKey: GLVZEIGFWZGDFV-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor AMPA (GRIA)	TTAN6JD	NOUNIPROTAC	Inhibitor	[1]
Glutamate receptor AMPA 1 (GRIA1)	TTVPQTF	GRIA1_HUMAN	Inhibitor	[1]

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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
Glutamate receptor AMPA 1 (GRIA1)	DTT	GRIA1	1.46E-06	-0.63	-0.78
Glutamate receptor AMPA (GRIA)	DTT	NO-GeName	1.79E-04	-0.69	-0.58

Molecular Expression Atlas (MEA)

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References

1	Developing a complete pharmacology for AMPA receptors: a perspective on subtype-selective ligands. Bioorg Med Chem. 2010 Feb 15;18(4):1381-7.