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Compound Detail

CHEMBL243283

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Cc1c(SCc2ccc(CCCCF)cc2)oc2ccccc2c1=O

Basic Information

ChEMBL ID CHEMBL243283
Phase Preclinical
Structure Type MOL
InChI Key FSZGSKABPZYZBS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.5
MW (Da)
5.69
ALogP
3
HBA
0
HBD
30.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21FO2S
MW 356.46
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.48

Activity Summary

IC50 1 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 8.05 8.05 9.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 9.0 nM 8.05 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