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]
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
PubChem CID
24827411
TTD ID
D0L0SD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cholinesterase (BCHE) TTEB0GD CHLE_HUMAN Inhibitor [1]
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.