Details of the Drug

General Information of Drug (ID: DM6LGHU)

Drug Name

(-)-DEBROMOFLUSTRAMINE B

Synonyms

CHEMBL383307; (-)-DEBROMOFLUSTRAMINE B; (-)-DebromoflustramineB; BDBM50241051

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)

310.5

Logarithm of the Partition Coefficient (xlogp)

5.7

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C21H30N2
IUPAC Name: (3aR,8bS)-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
Canonical SMILES: CC(=CC[C@@]12CCN([C@@H]1N(C3=CC=CC=C23)CC=C(C)C)C)C
InChI: InChI=1S/C21H30N2/c1-16(2)10-12-21-13-15-22(5)20(21)23(14-11-17(3)4)19-9-7-6-8-18(19)21/h6-11,20H,12-15H2,1-5H3/t20-,21+/m1/s1
InChIKey: NUWYFFDZPIGJJO-RTWAWAEBSA-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	Synthesis and biological evaluation of (-)- and (+)-debromoflustramine B and its analogues as selective butyrylcholinesterase inhibitors. J Med Chem. 2008 Sep 11;51(17):5271-84.