HUPERZINE A

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0111871I23

Structure
InChI Key ZRJBHWIHUMBLCN-HZRLMBICSA-N
Smile C/C=C1\[C@H]2C=C(C)C[C@@]1(N)c1ccc(=O)[nH]c1C2
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)/b11-3+/t10-,15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H18N2O
Molecular Weight 242.32
AlogP 2.0
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 0.0
Polar Surface Area 58.88
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Acetylcholinesterase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 0.54-5280 17 5.9-24 20.43-99.67
Enzyme Transferase
- - - - 0.2718
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 3.38-12.28
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 101.26

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Brain Injuries 2 D001930 ClinicalTrials
Alzheimer Disease 2 D000544 ClinicalTrials
Substance-Related Disorders 1 D019966 ClinicalTrials
Cocaine-Related Disorders 1 D019970 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 102518-79-6
ChEMBL CHEMBL1255901
FDA SRS 0111871I23
PubChem 9794806
ZINC ZINC000100004253
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