Details of the Drug

General Information of Drug (ID: DM64WSV)

Drug Name

4-[2-(3-Phenyl-propylamino)-ethyl]-phenol

Synonyms

CHEMBL333339; 4-[2-(3-Phenyl-propylamino)-ethyl]-phenol; SCHEMBL12009648; BDBM50066543; AKOS010487382

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)

255.35

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C17H21NO
IUPAC Name: 4-[2-(3-phenylpropylamino)ethyl]phenol
Canonical SMILES: C1=CC=C(C=C1)CCCNCCC2=CC=C(C=C2)O
InChI: InChI=1S/C17H21NO/c19-17-10-8-16(9-11-17)12-14-18-13-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-14H2
InChIKey: SJSNYEZWGGSNKY-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.