Details of the Drug

General Information of Drug (ID: DM4HE1V)

Drug Name
Pseudopalmatine trifluoroacetate
Synonyms Pseudopalmatine Trifluoroacetate
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 465.4
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Chemical Identifiers
Formula
C23H22F3NO6
IUPAC Name
2,3,10,11-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium;2,2,2-trifluoroacetate
Canonical SMILES
COC1=C(C=C2C(=C1)CC[N+]3=CC4=CC(=C(C=C4C=C23)OC)OC)OC.C(=O)(C(F)(F)F)[O-]
InChI
InChI=1S/C21H22NO4.C2HF3O2/c1-23-18-8-13-5-6-22-12-15-10-20(25-3)19(24-2)9-14(15)7-17(22)16(13)11-21(18)26-4;3-2(4,5)1(6)7/h7-12H,5-6H2,1-4H3;(H,6,7)/q+1;/p-1
InChIKey
KUZKREKOXDJDIQ-UHFFFAOYSA-M
Cross-matching ID
PubChem CID
49850522
TTD ID
D0L8UL

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 Characterization of Acetylcholinesterase Inhibitory Constituents from Annona glabra Assisted by HPLC Microfractionation. J Nat Prod. 2010 Oct 22;73(10):1632-5.