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Compound Detail

CHEMBL76640

(+)-PHYSOSTIGMINE
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CNC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(C)C1N2C

Basic Information

ChEMBL ID CHEMBL76640
Name (+)-PHYSOSTIGMINE
Phase Preclinical
Structure Type MOL
InChI Key PIJVFDBKTWXHHD-AWKYBWMHSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

275.4
MW (Da)
1.77
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H21N3O2
MW 275.35
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.15

Activity Summary

IC50 4 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cholinesterase
CHEMBL1914
IC50 5.6 5.6 2489.0 2
Acetylcholinesterase
CHEMBL220
IC50 5.0 5.0 9887.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9632370 10.1021/jm9800494 Acetylcholinesterase 1
9632370 10.1021/jm9800494 Cholinesterase 1
9288171 10.1021/jm970210v Acetylcholinesterase 1
9288171 10.1021/jm970210v Cholinesterase 1

Data from ChEMBL 36 via Core Engine