Details of the Drug

General Information of Drug (ID: DM5J7O8)

Drug Name

4-[2-(5-Phenyl-pentylamino)-ethyl]-phenol

Synonyms

CHEMBL119778; 790642-63-6; 4-[2-(5-Phenyl-pentylamino)-ethyl]-phenol; CTK2G4587; DTXSID40438363; BDBM50066544; 4-[2-[(5-Phenylpentyl)amino]ethyl]phenol; Phenol, 4-[2-[(5-phenylpentyl)amino]ethyl]-

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)

283.4

Logarithm of the Partition Coefficient (xlogp)

4.6

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C19H25NO
IUPAC Name: 4-[2-(5-phenylpentylamino)ethyl]phenol
Canonical SMILES: C1=CC=C(C=C1)CCCCCNCCC2=CC=C(C=C2)O
InChI: InChI=1S/C19H25NO/c21-19-12-10-18(11-13-19)14-16-20-15-6-2-5-9-17-7-3-1-4-8-17/h1,3-4,7-8,10-13,20-21H,2,5-6,9,14-16H2
InChIKey: GMQWOUOTGDXTNP-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10336113
CAS Number: 790642-63-6
TTD ID: D03CAE

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 2A (NMDAR2A)	TTKJEMQ	NMDE1_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.