Details of the Drug

General Information of Drug (ID: DMLCIJX)

Drug Name

4-[2-(6-Phenyl-hexylamino)-ethyl]-phenol

Synonyms

CHEMBL420530; 765883-50-9; 4-[2-(6-Phenyl-hexylamino)-ethyl]-phenol; CTK2G7588; DTXSID10444870; BDBM50066547; 4-[2-[(6-Phenylhexyl)amino]ethyl]phenol; Phenol, 4-[2-[(6-phenylhexyl)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): 1

Molecular Weight (mw)

297.4

Logarithm of the Partition Coefficient (xlogp)

5.2

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H27NO
IUPAC Name: 4-[2-(6-phenylhexylamino)ethyl]phenol
Canonical SMILES: C1=CC=C(C=C1)CCCCCCNCCC2=CC=C(C=C2)O
InChI: InChI=1S/C20H27NO/c22-20-13-11-19(12-14-20)15-17-21-16-7-2-1-4-8-18-9-5-3-6-10-18/h3,5-6,9-14,21-22H,1-2,4,7-8,15-17H2
InChIKey: GWYOLALPGDHNBU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10782907
CAS Number: 765883-50-9
TTD ID: D06QXT

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.