Details of the Drug

General Information of Drug (ID: DM4G6BT)

Drug Name

N,N'-(1',3'-propylene)-bis-(-)-nor-MEP

Synonyms

CHEMBL258468

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): 1

Molecular Weight (mw)

478.7

Logarithm of the Partition Coefficient (xlogp)

6.9

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C31H46N2O2
IUPAC Name: 3-[(3S)-3-ethyl-1-[3-[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]propyl]azepan-3-yl]phenol
Canonical SMILES: CC[C@]1(CCCCN(C1)CCCN2CCCC[C@@](C2)(CC)C3=CC(=CC=C3)O)C4=CC(=CC=C4)O
InChI: InChI=1S/C31H46N2O2/c1-3-30(26-12-9-14-28(34)22-26)16-5-7-18-32(24-30)20-11-21-33-19-8-6-17-31(4-2,25-33)27-13-10-15-29(35)23-27/h9-10,12-15,22-23,34-35H,3-8,11,16-21,24-25H2,1-2H3/t30-,31-/m1/s1
InChIKey: SKYWWOFBHWQWFU-FIRIVFDPSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Bis-(-)-nor-meptazinols as novel nanomolar cholinesterase inhibitors with high inhibitory potency on amyloid-beta aggregation. J Med Chem. 2008 Apr 10;51(7):2027-36.