Details of the Drug

General Information of Drug (ID: DMW460V)

Drug Name
N-(14-methylallyl)norgalanthamine
Synonyms N-(14-methylallyl)norgalanthamine; CHEMBL442287
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): 0 Molecular Weight (mw) 327.4
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H25NO3
IUPAC Name
(1S,12S,14R)-9-methoxy-4-(2-methylprop-2-enyl)-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
Canonical SMILES
CC(=C)CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)O
InChI
InChI=1S/C20H25NO3/c1-13(2)11-21-9-8-20-7-6-15(22)10-17(20)24-19-16(23-3)5-4-14(12-21)18(19)20/h4-7,15,17,22H,1,8-12H2,2-3H3/t15-,17-,20-/m0/s1
InChIKey
FEKQBPRIVQKBRM-KNBMTAEXSA-N
Cross-matching ID
PubChem CID
24863955
TTD ID
D00YHI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Acetylcholinesterase (AChE) TT1RS9F ACES_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Acetylcholinesterase (AChE) DTT ACHE 6.39E-02 -1.07 -1.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 N-Alkylated galanthamine derivatives: Potent acetylcholinesterase inhibitors from Leucojum aestivum. Bioorg Med Chem Lett. 2008 Apr 1;18(7):2263-6.