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Compound Detail

CHEMBL243284

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Cc1c(OCc2ccc(CCCCF)cc2)oc2ccccc2c1=O

Basic Information

ChEMBL ID CHEMBL243284
Phase Preclinical
Structure Type MOL
InChI Key ZMUUOYKTWKQVAH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
4.97
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21FO3
MW 340.39
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.10

Activity Summary

IC50 1 meas. best 7.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.48 7.48 33.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 33.0 nM 7.48 Inhibition of bovine mitochondrial MC1 17696417

Literature References

PubMed DOI Target Context # Activities
17696417 10.1021/jm0701831 Unchecked 1

Data from ChEMBL 36 via Core Engine