Details of the Drug

General Information of Drug (ID: DMY01FU)

Drug Name
Benzoxazole derivative 1
Synonyms PMID26413912-Compound-83
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 379.5
Logarithm of the Partition Coefficient (xlogp) 5.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C25H21N3O
IUPAC Name
2-(1,3-dihydroisoindol-2-yl)-5-(1-ethylindol-5-yl)-1,3-benzoxazole
Canonical SMILES
CCN1C=CC2=C1C=CC(=C2)C3=CC4=C(C=C3)OC(=N4)N5CC6=CC=CC=C6C5
InChI
InChI=1S/C25H21N3O/c1-2-27-12-11-19-13-17(7-9-23(19)27)18-8-10-24-22(14-18)26-25(29-24)28-15-20-5-3-4-6-21(20)16-28/h3-14H,2,15-16H2,1H3
InChIKey
JRHOETSWOCHDIA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
45109843
ChEBI ID
CHEMBL1812716
TTD ID
D05RQF
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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

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 Fatty acid amide hydrolase inhibitors: a patent review (2009-2014).Expert Opin Ther Pat. 2015;25(11):1247-66.