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
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
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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) 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.