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Compound Detail

CHEMBL1093419

LACMOID
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O=c1cc2oc3cc(O)c(-c4ccc(O)cc4O)cc3nc-2cc1-c1ccc(O)cc1O

Basic Information

ChEMBL ID CHEMBL1093419
Name LACMOID
Phase Preclinical
Structure Type MOL
InChI Key VBELMRDAQMYTOU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

429.4
MW (Da)
4.15
ALogP
8
HBA
5
HBD
144.2
PSA (Ų)
0.26
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H15NO7
MW 429.38
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 0.32

Activity Summary

IC50 1 meas. best 4.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.59 4.59 25510.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 25510.0 nM 4.59 Inhibition of synthetic amyloid beta-42 oligomerization by ELISA 17284452

Literature References

PubMed DOI Target Context # Activities
17284452 10.1074/jbc.m608207200 Unchecked 4
19640715 10.1016/j.bmcl.2009.07.082 Unchecked 2

Data from ChEMBL 36 via Core Engine