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Compound Detail

CHEMBL565404

LINDBLADIONE
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CCCC(=O)/C=C/C1=C(O)C(=O)c2cc(O)c(O)cc2C1=O

Basic Information

ChEMBL ID CHEMBL565404
Name LINDBLADIONE
Phase Preclinical
Structure Type MOL
InChI Key OLFBLDMRYIIOJS-SNAWJCMRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
2.21
ALogP
6
HBA
3
HBD
111.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14O6
MW 302.28
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 1.19

Activity Summary

IC50 1 meas. best 5.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transcription factor HES-1
CHEMBL1075292
IC50 5.39 5.39 4100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19716294 10.1016/j.bmcl.2009.07.146 Transcription factor HES-1 3

Data from ChEMBL 36 via Core Engine