Details of the Drug

General Information of Drug (ID: DMK209P)

Drug Name
1-(2-isopropylphenoxy)-3-morpholinopropan-2-ol
Synonyms CHEMBL1083668; 1-(2-isopropylphenoxy)-3-morpholinopropan-2-ol; Oprea1_740178; AC1N31P0; 1-morpholin-4-yl-3-(2-propan-2-ylphenoxy)propan-2-ol; BDBM50318979
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) 279.37
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H25NO3
IUPAC Name
1-morpholin-4-yl-3-(2-propan-2-ylphenoxy)propan-2-ol
Canonical SMILES
CC(C)C1=CC=CC=C1OCC(CN2CCOCC2)O
InChI
InChI=1S/C16H25NO3/c1-13(2)15-5-3-4-6-16(15)20-12-14(18)11-17-7-9-19-10-8-17/h3-6,13-14,18H,7-12H2,1-2H3
InChIKey
OFEYQVJHAZFCJS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4080436
TTD ID
D04HXF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor beta-1 (ADRB1) TTR6W5O ADRB1_HUMAN Inhibitor [1]
Adrenergic receptor beta-2 (ADRB2) TT2CJVK ADRB2_HUMAN Inhibitor [1]
Adrenergic receptor beta-3 (ADRB3) TTMXGCW ADRB3_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
Adrenergic receptor beta-3 (ADRB3) DTT ADRB3 7.81E-01 0.02 0.16
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 A vHTS approach for the identification of beta-adrenoceptor ligands. Bioorg Med Chem Lett. 2010 Jun 1;20(11):3399-404.