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Compound Detail

CHEMBL446527

HOFMEISTERIN
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CC(=O)OCC(=O)c1ccc(C)cc1O

Basic Information

ChEMBL ID CHEMBL446527
Name HOFMEISTERIN
Phase Preclinical
Structure Type MOL
InChI Key LHLJANTYAXQUPZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

208.2
MW (Da)
1.45
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H12O4
MW 208.21
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.09

Activity Summary

IC50 2 meas. best 5.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.36 5.36 4400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 4400.0 nM 5.36 Inhibition of calmodulin-dependent PDE1 activation 15974630

Literature References

PubMed DOI Target Context # Activities
15974630 10.1021/np0501278 Amaranthus hypochondriacus 1
15974630 10.1021/np0501278 Echinochloa crus-galli 1
15974630 10.1021/np0501278 Medicago sativa 1
15974630 10.1021/np0501278 Unchecked 1

Data from ChEMBL 36 via Core Engine