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]
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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

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]

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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.