Details of the Drug

General Information of Drug (ID: DM1LKEP)

Drug Name

N,N'-(1',2'-ethylene)-bis-(-)-nor-MEP

Synonyms

CHEMBL411226

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)

464.7

Logarithm of the Partition Coefficient (xlogp)

6.6

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C30H44N2O2
IUPAC Name: 3-[(3S)-3-ethyl-1-[2-[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]ethyl]azepan-3-yl]phenol
Canonical SMILES: CC[C@]1(CCCCN(C1)CCN2CCCC[C@@](C2)(CC)C3=CC(=CC=C3)O)C4=CC(=CC=C4)O
InChI: InChI=1S/C30H44N2O2/c1-3-29(25-11-9-13-27(33)21-25)15-5-7-17-31(23-29)19-20-32-18-8-6-16-30(4-2,24-32)26-12-10-14-28(34)22-26/h9-14,21-22,33-34H,3-8,15-20,23-24H2,1-2H3/t29-,30-/m1/s1
InChIKey: RMHAJXOOJPBLSR-LOYHVIPDSA-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.