Details of the Drug

General Information of Drug (ID: DMC73DY)

Drug Name
(R)-3-(4-propylmorpholin-2-yl)phenol
Synonyms CHEMBL250403; 710654-74-3; pf-219061; (R)-3-(4-propylmorpholin-2-yl)phenol; SCHEMBL2078437; DTXSID90430791; ZINC26822913; BDBM50226008; KB-274981
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) 221.29
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C13H19NO2
IUPAC Name
3-[(2R)-4-propylmorpholin-2-yl]phenol
Canonical SMILES
CCCN1CCO[C@@H](C1)C2=CC(=CC=C2)O
InChI
InChI=1S/C13H19NO2/c1-2-6-14-7-8-16-13(10-14)11-4-3-5-12(15)9-11/h3-5,9,13,15H,2,6-8,10H2,1H3/t13-/m0/s1
InChIKey
WYEGTIGJSHGEID-ZDUSSCGKSA-N
Cross-matching ID
PubChem CID
9794475
CAS Number
710654-74-3
TTD ID
D04TWX

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_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
5-HT 2A receptor (HTR2A) DTT HTR2A 1.68E-01 -0.3 -0.14
5-HT 2A receptor (HTR2A) DTT HTR2A 5.59E-01 0.15 0.21
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Design and synthesis of a functionally selective D3 agonist and its in vivo delivery via the intranasal route. Bioorg Med Chem Lett. 2007 Dec 15;17(24):6691-6.