Details of the Drug

General Information of Drug (ID: DM1DQGJ)

Drug Name
3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol
Synonyms
CHEMBL285250; 27107-68-2; 3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol; CTK0I5787; DTXSID80494706; BDBM50000570; AKOS022657931; 3-(2-Methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol; Phenol, 3-(2-methyl-2-azabicyclo[3.3.1]non-5-yl)-; 2-Methyl-5-(3-hydroxyphenyl)-2-azabicyclo[3.3.1]nonane
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) 231.33
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H21NO
IUPAC Name
3-(2-methyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol
Canonical SMILES
CN1CCC2(CCCC1C2)C3=CC(=CC=C3)O
InChI
InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3
InChIKey
ZQJGRSYDDMBMPJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
12368881
CAS Number
27107-68-2
TTD ID
D08UZJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Opioid receptor mu (MOP) TTKWM86 OPRM_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Opioid receptor mu (MOP) DTT OPRM1 5.94E-01 -0.02 -0.17
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Phenylmorphans and analogues: opioid receptor subtype selectivity and effect of conformation on activity. J Med Chem. 1992 May 1;35(9):1521-5.