Details of the Drug

General Information of Drug (ID: DM804T5)

Drug Name
US9694002, 59
Synonyms SCHEMBL15535893; BDBM70886; YUDSOPSBYJDZMS-UHFFFAOYSA-N; US9694002, 59; 4-((1-benzhydrylazetidin-3-yl)methoxy)-5-chloro-2-fluoro-N-(methylsulfonyl)benzamide
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 503
Logarithm of the Partition Coefficient (xlogp) 4.7
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C25H24ClFN2O4S
IUPAC Name
4-[(1-benzhydrylazetidin-3-yl)methoxy]-5-chloro-2-fluoro-N-methylsulfonylbenzamide
Canonical SMILES
CS(=O)(=O)NC(=O)C1=CC(=C(C=C1F)OCC2CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl
InChI
InChI=1S/C25H24ClFN2O4S/c1-34(31,32)28-25(30)20-12-21(26)23(13-22(20)27)33-16-17-14-29(15-17)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,17,24H,14-16H2,1H3,(H,28,30)
InChIKey
YUDSOPSBYJDZMS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
86703776
TTD ID
D05HMS
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
SCN1A messenger RNA (SCN1A mRNA) TTANOZH SCN1A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Substituted benzamides and methods of use thereof. US9694002.