Details of the Drug

General Information of Drug (ID: DMKDBHN)

Drug Name

4-[3-(5-Phenyl-pentylamino)-propyl]-phenol

Synonyms

CHEMBL334003; 771459-50-8; 4-[3-(5-Phenyl-pentylamino)-propyl]-phenol; CTK2G6876; DTXSID00441232; BDBM50066546; 4-[3-[(5-Phenylpentyl)amino]propyl]phenol; Phenol, 4-[3-[(5-phenylpentyl)amino]propyl]-

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)

297.4

Logarithm of the Partition Coefficient (xlogp)

5

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H27NO
IUPAC Name: 4-[3-(5-phenylpentylamino)propyl]phenol
Canonical SMILES: C1=CC=C(C=C1)CCCCCNCCCC2=CC=C(C=C2)O
InChI: InChI=1S/C20H27NO/c22-20-14-12-19(13-15-20)11-7-17-21-16-6-2-5-10-18-8-3-1-4-9-18/h1,3-4,8-9,12-15,21-22H,2,5-7,10-11,16-17H2
InChIKey: HCVJFVZXTLAHRT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10520673
CAS Number: 771459-50-8
TTD ID: D0A5ET

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.