Details of the Drug

General Information of Drug (ID: DMZDFRI)

Drug Name

Acanthus ilicifolius Linn

Synonyms

AC1L1B2B; CBiol_001885; KBioGR_000483; KBioSS_000483; BSPBio_001143; (-)-Huperzine A-d5 (Major); CHEMBL3184073; KBio3_000886; CTK8E6796; KBio2_003051; BDBM10441; KBio2_005619; KBio2_000483; KBio3_000885; Bio2_000402; Bio1_001149; Bio1_000660; HMS1990I05; Bio2_000882; Bio1_000171; AKOS032962044; AN-1052; KS-0000000G; IDI1_002157; NCGC00163246-01; FT-0642946; N1881; Acarviostatin III03; Acarviostatin IV03

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)

242.32

Logarithm of the Partition Coefficient (xlogp)

0

Rotatable Bond Count (rotbonds)

0

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C15H18N2O
IUPAC Name: 1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
Canonical SMILES: CC=C1C2CC3=C(C1(CC(=C2)C)N)C=CC(=O)N3
InChI: InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)
InChIKey: ZRJBHWIHUMBLCN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1253
CAS Number: 102518-79-6
TTD ID: D09CXQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Arachidonate 5-lipoxygenase (5-LOX)	TT2J34L	LOX5_HUMAN	Inhibitor	[1]
Pancreatic alpha-amylase (AMY2A)	TTCGSZ4	AMYP_HUMAN	Inhibitor	[2]

------------------------------------------------------------------------------------

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
Arachidonate 5-lipoxygenase (5-LOX)	DTT	ALOX5	4.15E-01	-0.06	-0.15

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Anti-inflammatory activity of Acanthus ilicifolius. J Ethnopharmacol. 2008 Oct 30;120(1):7-12.
2	Four acarviosin-containing oligosaccharides identified from Streptomyces coelicoflavus ZG0656 are potent inhibitors of alpha-amylase. Carbohydr Res. 2008 Apr 7;343(5):882-92.