Details of the Drug

General Information of Drug (ID: DM75SO4)

Drug Name
Cis-N,5-dibenzyl-6-oxomorpholine-3-carboxamide
Synonyms CHEMBL215688; cis-N,5-dibenzyl-6-oxomorpholine-3-carboxamide
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) 324.4
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C19H20N2O3
IUPAC Name
(3S,5S)-N,5-dibenzyl-6-oxomorpholine-3-carboxamide
Canonical SMILES
C1[C@H](N[C@H](C(=O)O1)CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O3/c22-18(20-12-15-9-5-2-6-10-15)17-13-24-19(23)16(21-17)11-14-7-3-1-4-8-14/h1-10,16-17,21H,11-13H2,(H,20,22)/t16-,17-/m0/s1
InChIKey
ORMAGLLOPOBCBO-IRXDYDNUSA-N
Cross-matching ID
PubChem CID
44417210
ChEBI ID
CHEMBL215688
TTD ID
D07UBR
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Voltage-gated calcium channel alpha Cav3.1 (CACNA1G) TT729IR CAC1G_HUMAN Inhibitor [1]
Voltage-gated calcium channel alpha Cav3.2 (CACNA1H) TTZPWGN CAC1H_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Morpholin-2-one derivatives as novel selective T-type Ca2+ channel blockers. Bioorg Med Chem Lett. 2006 Oct 1;16(19):5244-8.