Details of the Drug

General Information of Drug (ID: DM7DF6Z)

Drug Name
Pyrrolidinyl urea derivative 1
Synonyms PMID26413912-Compound-52
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 405.5
Logarithm of the Partition Coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C24H24FN3O2
IUPAC Name
3-[2-[3-(4-fluorophenoxy)phenyl]ethyl]-N-pyridin-3-ylpyrrolidine-1-carboxamide
Canonical SMILES
C1CN(CC1CCC2=CC(=CC=C2)OC3=CC=C(C=C3)F)C(=O)NC4=CN=CC=C4
InChI
InChI=1S/C24H24FN3O2/c25-20-8-10-22(11-9-20)30-23-5-1-3-18(15-23)6-7-19-12-14-28(17-19)24(29)27-21-4-2-13-26-16-21/h1-5,8-11,13,15-16,19H,6-7,12,14,17H2,(H,27,29)
InChIKey
BDZREAHMWOSTKO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
49839185
TTD ID
D0X7MV

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.