HUPERZINE A

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Synonyms
Status
Molecule Category Free-form
UNII 0111871I23

Structure

InChI Key ZRJBHWIHUMBLCN-HZRLMBICSA-N
Smiles 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
Polar Surface Area 58.88
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 0.54-260 - 5.9-175 11.85-100
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 93.86-101.26
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- 53-74 - - -
Cricetulus griseus
- - - - 93.86-101.26
Electrophorus electricus
- 120 - - 97.29
Equus caballus
- - - - 11.85
Homo sapiens
- 0.54-260 - 47 100
Mus musculus
- 82 - - -
Rattus norvegicus
- 53-114 - - -
Torpedo californica
- 11.4 - 175-175 20.43-99.67

Cross References

Resources Reference
ChEMBL CHEMBL1255901
FDA SRS 0111871I23
PubChem 854026
ZINC ZINC000100004253
CONTENTS