Details of the Drug

General Information of Drug (ID: DMPMGLO)

Drug Name
1-Oxazolo[4,5-b]pyridin-2-yl-6-phenyl-hexan-1-one
Synonyms
PHOP; 288862-83-9; CHEMBL175854; 1-(oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one; 1-Oxazolo[4,5-b]pyridin-2-yl-6-phenyl-hexan-1-one; SCHEMBL3964367; CTK8E9849; LEI-104; DTXSID10435440; MolPort-009-018-760; HMS3649E22; ZINC13611906; BDBM50161518; ACM288862839; RT-015038; SR-01000946606; J-017316; SR-01000946606-1
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) 294.3
Logarithm of the Partition Coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C18H18N2O2
IUPAC Name
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one
Canonical SMILES
C1=CC=C(C=C1)CCCCCC(=O)C2=NC3=C(O2)C=CC=N3
InChI
InChI=1S/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2
InChIKey
VPZHQLPAKFVGKX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10085812
CAS Number
288862-83-9
TTD ID
D0TN0A

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fatty acid amide hydrolase (FAAH) TTDP1UC NOUNIPROTAC 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
Fatty acid amide hydrolase (FAAH) DTT NO-GeName 2.65E-01 0.02 0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The endocannabinoid system: drug targets, lead compounds, and potential therapeutic applications. J Med Chem. 2005 Aug 11;48(16):5059-87.