PHYSOSTIGMINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: S01EB05
UNII: 9U1VM840SP

Structure
InChI Key PIJVFDBKTWXHHD-HIFRSBDPSA-N
Smile 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

Primary Target
acetylcholinesterase (Cartwright blood group)
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 0-25000 - 34-1000 8-100
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 37000-37000 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 78

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 3 D010146 ClinicalTrials
Delirium 3 D003693 ClinicalTrials
Insulin Resistance 0 D007333 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 57-47-6
ChEBI 27953
ChEMBL CHEMBL94
DrugBank DB00981
DrugCentral 2159
EPA CompTox DTXSID3023471
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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