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Compound Detail

CHEMBL1127

7-HYDROXYTACRINE
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Nc1c2c(nc3ccccc13)CC(O)CC2

Basic Information

ChEMBL ID CHEMBL1127
Name 7-HYDROXYTACRINE
Phase Preclinical
Structure Type MOL
InChI Key WGAVIJGEWZDOOU-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

214.3
MW (Da)
1.67
ALogP
3
HBA
2
HBD
59.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N2O
MW 214.27
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.34

Activity Summary

IC50 4 meas. best 6.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetylcholinesterase
CHEMBL3199
IC50 6.32 6.32 483.0 1
Acetylcholinesterase
CHEMBL220
IC50 6.21 6.165 623.0 2
Acetylcholinesterase
CHEMBL3198
IC50 5.92 5.92 1210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8709135 10.1021/jm9602266 Acetylcholinesterase 4

Data from ChEMBL 36 via Core Engine