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]
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]
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.