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Compound Detail

CHEMBL496492

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CCCCCCCCCOC(=O)/C=C/c1ccc(O)c(O)c1

Basic Information

ChEMBL ID CHEMBL496492
Phase Preclinical
Structure Type MOL
InChI Key DZUHOSORNHKGTI-ZRDIBKRKSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
4.40
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.29
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26O4
MW 306.40
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.77

Activity Summary

EC50 3 meas. best 7.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
EC50 7.28 6.53 52.0 2
Amyloid-beta precursor protein
CHEMBL2487
EC50 5.02 5.02 9520.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18667320 10.1016/j.bmc.2008.07.006 RAW264.7 3
28759879 10.1016/j.ejmech.2017.07.026 Unchecked 2
28759879 10.1016/j.ejmech.2017.07.026 No relevant target 2
28759879 10.1016/j.ejmech.2017.07.026 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine