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

CHEMBL4876481

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
COc1cc2c(cc1OC)[C@H](Cc1c[nH]c3ccc(-c4ccccc4)cc13)N(C=O)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4876481
Phase Preclinical
Structure Type MOL
InChI Key SADCTRDNVJFRSP-VWLOTQADSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
5.15
ALogP
3
HBA
1
HBD
54.6
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N2O3
MW 426.52
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness 0.45

Activity Summary

IC50 1 meas. best 4.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
 IC50 4.86 4.86 13800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 13800.0 nM 4.86 Anti-inflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS... 33218684

Literature References

PubMed DOI Target Context # Activities
33218684 10.1016/j.ejmech.2020.113004 3',5'-cyclic-AMP phosphodiesterase 4D 2
33218684 10.1016/j.ejmech.2020.113004 RAW264.7 2

Data from ChEMBL 36 via Core Engine