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Compound Detail

CHEMBL1243298

QUILOSTIGMINE
🧪 Phase II
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🧪 Phase II
CN1CC[C@@]2(C)c3cc(OC(=O)N4CCc5ccccc5C4)ccc3N(C)[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1243298
Name QUILOSTIGMINE
Phase Phase II
Structure Type MOL
InChI Key IIFRKALDATVOJE-GGAORHGYSA-N

Known Names

HP 290 HP-290 HP290 NXX-066 Quilostigmina Quilostigmine
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
6
Known Names

Molecular Properties

377.5
MW (Da)
3.61
ALogP
4
HBA
0
HBD
36.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -stigmine
USAN Year 1996

Extended Properties

Molecular Formula C23H27N3O2
MW 377.49
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.29

Activity Summary

IC50 1 meas. best 6.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetylcholinesterase
CHEMBL220
 IC50 6.83 6.83 148.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acetylcholinesterase IC50 = 148.0 nM 6.83 Inhibition of human AChE by Ellmans test 20684567

Literature References

PubMed DOI Target Context # Activities
20684567 10.1021/jm100573q Acetylcholinesterase 1
22961681 10.1124/dmd.112.047068 Bile salt export pump 1

Data from ChEMBL 36 via Core Engine