Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5282267

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCCCCCc1ccc(OCC(=O)Cn2cc(CCCC(=O)O)c(C(=O)C(C)C)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5282267
Phase Preclinical
Structure Type MOL
InChI Key KRBWLWJAQJPVLK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

483.6
MW (Da)
6.29
ALogP
5
HBA
1
HBD
85.6
PSA (Ų)
0.20
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H41NO5
MW 483.65
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.04

Activity Summary

IC50 1 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.35 6.35 450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 450.0 nM 6.35 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 Unchecked 1

Data from ChEMBL 36 via Core Engine