Details of the Drug

General Information of Drug (ID: DM08CG7)

Drug Name
4-[2-(2-Benzyl-phenoxy)-ethyl]-morpholine
Synonyms CHEMBL365697; 4-[2-(2-benzylphenoxy)ethyl]morpholine; AC1MGXJ0; 4-[2-(2-Benzyl-phenoxy)-ethyl]-morpholine; BDBM50151042
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) 3.5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H23NO2
IUPAC Name
4-[2-(2-benzylphenoxy)ethyl]morpholine
Canonical SMILES
C1COCCN1CCOC2=CC=CC=C2CC3=CC=CC=C3
InChI
InChI=1S/C19H23NO2/c1-2-6-17(7-3-1)16-18-8-4-5-9-19(18)22-15-12-20-10-13-21-14-11-20/h1-9H,10-16H2
InChIKey
DQESEABEPUDVEZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2993172
TTD ID
D01ENR

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D1 receptor (D1R) TTZFYLI DRD1_HUMAN Inhibitor [1]
Dopamine D4 receptor (D4R) TTE0A2F DRD4_HUMAN Inhibitor [1]
Dopamine D5 receptor (D5R) TTS2PH3 DRD5_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
Dopamine D1 receptor (D1R) DTT DRD1 8.99E-01 -0.06 -0.3
Dopamine D4 receptor (D4R) DTT DRD4 1.90E-01 0.19 0.76
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Dopamine/serotonin receptor ligands. 9. Oxygen-containing midsized heterocyclic ring systems and nonrigidized analogues. A step toward dopamine D5 ... J Med Chem. 2004 Aug 12;47(17):4155-8.