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Compound Detail

CHEMBL146924

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CCc1c(C(=O)C(N)=O)c2c(SCCCC(=O)O)cccc2n1Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL146924
Phase Preclinical
Structure Type MOL
InChI Key JOHPMEBCRKBHDY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
3.88
ALogP
5
HBA
2
HBD
102.4
PSA (Ų)
0.22
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N2O4S
MW 424.52
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 7.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phospholipase A2, membrane associated
CHEMBL3474
IC50 7.31 7.31 49.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8978844 10.1021/jm960487f Phospholipase A2, membrane associated 1
8978844 10.1021/jm960487f Unchecked 1

Data from ChEMBL 36 via Core Engine