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Compound Detail

CHEMBL610783

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COc1cc(/C=C\C=C\c2nc3ccc(CO)cc3o2)ccc1O

Basic Information

ChEMBL ID CHEMBL610783
Phase Preclinical
Structure Type MOL
InChI Key FNSBCQPVBCPQLO-VOERYJCWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
3.76
ALogP
5
HBA
2
HBD
75.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17NO4
MW 323.35
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.29

Activity Summary

IC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 300.0 nM 6.52 Inhibition of potato tuber 5LOX by polarographic method 20045317

Literature References

PubMed DOI Target Context # Activities
20045317 10.1016/j.bmcl.2009.12.047 Unchecked 1

Data from ChEMBL 36 via Core Engine