Details of the Drug

General Information of Drug (ID: DMFQMHK)

Drug Name

Phenethyl-(4-phenyl-butyl)-amine

Synonyms

CHEMBL280111; Phenethyl-(4-phenyl-butyl)-amine; SCHEMBL8084143; 4-Phenyl-N-phenethyl-1-butanamine; ZINC13736042

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)

253.4

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C18H23N
IUPAC Name: 4-phenyl-N-(2-phenylethyl)butan-1-amine
Canonical SMILES: C1=CC=C(C=C1)CCCCNCCC2=CC=CC=C2
InChI: InChI=1S/C18H23N/c1-3-9-17(10-4-1)13-7-8-15-19-16-14-18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2
InChIKey: HMGFNEMDDFFJES-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 ionotropic NMDA 1 (NMDAR1)	TTLD29N	NMDZ1_HUMAN	Inhibitor	[1]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B)	TTN9D8E	NMDE2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Structure-activity relationships for a series of bis(phenylalkyl)amines: potent subtype-selective inhibitors of N-methyl-D-aspartate receptors. J Med Chem. 1998 Aug 27;41(18):3499-506.