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

CHEMBL5271148

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)C(C)n2cc(CCC(=O)O)c(-c3nc(C)no3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5271148
Phase Preclinical
Structure Type MOL
InChI Key LIYMVKLGXHOTBZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

495.6
MW (Da)
5.98
ALogP
7
HBA
1
HBD
107.5
PSA (Ų)
0.24
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H37N3O5
MW 495.62
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1.0 nM 9.0 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
36495814 10.1016/j.bmc.2022.117110 No relevant target 1

Data from ChEMBL 36 via Core Engine