Details of the Drug

General Information of Drug (ID: DMXLVJW)

Drug Name
4-[2-(4-Phenyl-butylamino)-ethyl]-phenol
Synonyms CHEMBL118969; 4-[2-(4-Phenyl-butylamino)-ethyl]-phenol; SCHEMBL7379499; ZINC13781000; BDBM50066539
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 269.4
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C18H23NO
IUPAC Name
4-[2-(4-phenylbutylamino)ethyl]phenol
Canonical SMILES
C1=CC=C(C=C1)CCCCNCCC2=CC=C(C=C2)O
InChI
InChI=1S/C18H23NO/c20-18-11-9-17(10-12-18)13-15-19-14-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-12,19-20H,4-5,8,13-15H2
InChIKey
FNRAWMBUHCSCSX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10707108
TTD ID
D0W0HN

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]
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.