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Compound Detail

CHEMBL5266606

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CCCCCCCCc1ccc(OCC(=O)Cn2cc(CCC(=O)O)c(C(=O)C(C)C)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5266606
Phase Preclinical
Structure Type MOL
InChI Key FCKYFTZLGFBETF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

469.6
MW (Da)
5.90
ALogP
5
HBA
1
HBD
85.6
PSA (Ų)
0.23
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H39NO5
MW 469.62
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.05

Activity Summary

IC50 1 meas. best 7.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.28 7.28 53.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 53.0 nM 7.28 Inhibition of porcine cytosolic phospholipase A2 alpha using SAPC and 2-dioleoyl... 36495814

Literature References

PubMed DOI Target Context # Activities
36495814 10.1016/j.bmc.2022.117110 ADMET 2
36495814 10.1016/j.bmc.2022.117110 No relevant target 2
36495814 10.1016/j.bmc.2022.117110 Unchecked 1

Data from ChEMBL 36 via Core Engine