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Compound Detail

CHEMBL5595424

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COc1ccc(C(=O)C(C)n2cncn2)c2cc(C3CC3)oc12

Basic Information

ChEMBL ID CHEMBL5595424
Phase Preclinical
Structure Type MOL
InChI Key JONGTGGJZCVTPS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
3.35
ALogP
6
HBA
0
HBD
70.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N3O3
MW 311.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.49

Activity Summary

IC50 1 meas. best 7.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4D
CHEMBL288
IC50 7.73 7.73 18.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38861808 10.1016/j.ejmech.2024.116576 3',5'-cyclic-AMP phosphodiesterase 4D 1

Data from ChEMBL 36 via Core Engine