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]

• Drug Type: Small molecular drug
• #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]

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.