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Compound Detail

CHEMBL4525913

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CCOc1cc2c(cc1OC)CN(C=O)CC2

Basic Information

ChEMBL ID CHEMBL4525913
Phase Preclinical
Structure Type MOL
InChI Key ARDPDBIUWVOVEW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

235.3
MW (Da)
1.61
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17NO3
MW 235.28
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.29

Activity Summary

IC50 1 meas. best 4.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4D
CHEMBL288
IC50 4.58 4.58 26100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
31099559 10.1021/acs.jmedchem.9b00518 3',5'-cyclic-AMP phosphodiesterase 4D 1

Data from ChEMBL 36 via Core Engine