Details of the Drug

General Information of Drug (ID: DMQWFO1)

Drug Name

Phenethyl-(3-phenyl-propyl)-amine

Synonyms

CHEMBL283775; Phenethyl-(3-phenyl-propyl)-amine; AC1L8VET; SCHEMBL625373; N-Phenethylbenzenepropane-1-amine; ZINC1707035; N-phenethyl-3-phenylpropan-1-amine; BDBM50041250

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)

239.35

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C17H21N
IUPAC Name: 3-phenyl-N-(2-phenylethyl)propan-1-amine
Canonical SMILES: C1=CC=C(C=C1)CCCNCCC2=CC=CC=C2
InChI: InChI=1S/C17H21N/c1-3-8-16(9-4-1)12-7-14-18-15-13-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
InChIKey: MCXHGJLRTJKZGT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 408731
TTD ID: D0T1GZ

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)

MIA Detail

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.