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Compound Detail

CHEMBL4875765

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COc1cc2c(cc1OC)[C@H](Cc1c[nH]c3cccc(Cl)c13)N(C=O)CC2

Basic Information

ChEMBL ID CHEMBL4875765
Phase Preclinical
Structure Type MOL
InChI Key HQKSIBDTUDMGIV-SFHVURJKSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

384.9
MW (Da)
4.14
ALogP
3
HBA
1
HBD
54.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClN2O3
MW 384.86
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 0.38

Activity Summary

IC50 2 meas. best 6.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4D
CHEMBL288
IC50 6.44 6.44 360.0 1
RAW264.7
CHEMBL612557
IC50 4.46 4.46 34900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33218684 10.1016/j.ejmech.2020.113004 RAW264.7 2
33218684 10.1016/j.ejmech.2020.113004 Unchecked 2
33218684 10.1016/j.ejmech.2020.113004 3',5'-cyclic-AMP phosphodiesterase 4D 1

Data from ChEMBL 36 via Core Engine