Details of the Drug

General Information of Drug (ID: DMIZQW6)

Drug Name

LYSICAMINE

Synonyms

Lysicamine; Oxonuciferine; 15444-20-9; CCRIS 3813; NSC 628003; BRN 1486372; UNII-6L30DD6R7O; CHEMBL510090; 6L30DD6R7O; CHEBI:70650; 1,2-Dimethoxy-7H-dibenzo(de,g)quinolin-7-one; NSC628003; 7H-Dibenzo(de,g)quinolin-7-one, 1,2-dimethoxy-; Noraporphin-7-one, 4,5,6,6a-tetradehydro-1,2-dimethoxy-; 7H-Dibenzo[de,g]quinolin-7-one, 1,2-dimethoxy-; 5-21-13-00382 (Beilstein Handbook Reference); (+)-ushinsunine-beta-N-oxide; SCHEMBL2046474; AC1L3V30; DTXSID00165628; MolPort-044-754-181; DPBMWJXWUINLQT-UHFFFAOYSA-N; BDBM50292452

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): 0

Molecular Weight (mw)

291.3

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C18H13NO3
IUPAC Name: 15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-8-one
Canonical SMILES: COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=CC=CC=C42)OC
InChI: InChI=1S/C18H13NO3/c1-21-13-9-10-7-8-19-16-14(10)15(18(13)22-2)11-5-3-4-6-12(11)17(16)20/h3-9H,1-2H3
InChIKey: DPBMWJXWUINLQT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 122691
ChEBI ID: CHEBI:70650
CAS Number: 15444-20-9
TTD ID: D01RUH

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.