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]
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]
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.