Details of the Drug

General Information of Drug (ID: DMEXPAU)

Drug Name
N,N-methylenebis-2-phenylacetamide and benzenesulfonamide derivative 1
Synonyms PMID27215781-Compound-38
Indication
Disease Entry ICD 11 Status REF
Osteoporosis FB83.0 Patented [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 401.5
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C25H27N3O2
IUPAC Name
N-[[4-(dimethylamino)phenyl]-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide
Canonical SMILES
CN(C)C1=CC=C(C=C1)C(NC(=O)CC2=CC=CC=C2)NC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C25H27N3O2/c1-28(2)22-15-13-21(14-16-22)25(26-23(29)17-19-9-5-3-6-10-19)27-24(30)18-20-11-7-4-8-12-20/h3-16,25H,17-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKey
XZLHEBHGANHBEG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4296438
TTD ID
D07IHT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cannabinoid receptor 2 (CB2) TTMSFAW CNR2_HUMAN Not Available [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Osteoporosis
ICD Disease Classification FB83.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cannabinoid receptor 2 (CB2) DTT CNR2 3.82E-02 -0.43 -1.18
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Cannabinoid receptor 2 (CB2) agonists and antagonists: a patent update.Expert Opin Ther Pat. 2016 Jul;26(7):843-56.