PHYSOSTIGMINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC S01EB05 V03AB19
UNII 9U1VM840SP
EPA CompTox DTXSID3023471

Structure

InChI Key PIJVFDBKTWXHHD-HIFRSBDPSA-N
Smiles CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C
InChI
InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H21N3O2
Molecular Weight 275.35
AlogP 1.77
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 44.81
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 0.43-930 - 34-41 7.22-99.9
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 78.13-80.76
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 78.13-80.76
Electrophorus electricus
- 1-275 - 34 8.11-99.8
Equus caballus
- 14-857 - 41 7.22-93.2
Gallus gallus
- 20 - - -
Homo sapiens
- 2.9-930 - - 12.37-99.9
Mus musculus
- 40-280 - - -
Rattus norvegicus
- 1-58.4 - - -
Torpedo californica
- 11-360 - - -
eel
- 61 - - -

Cross References

Resources Reference
ChEBI 27953
ChEMBL CHEMBL94
DrugBank DB00981
DrugCentral 2159
FDA SRS 9U1VM840SP
Human Metabolome Database HMDB0015116
Guide to Pharmacology 6598
KEGG C06535
PharmGKB PA450957
PubChem 5983
SureChEMBL SCHEMBL24044
ZINC ZINC000091689892
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