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Compound Detail

CHEMBL5591341

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COc1ccc(C(=O)Cn2ccc3ncccc32)c2cc(C3CC3)oc12

Basic Information

ChEMBL ID CHEMBL5591341
Phase Preclinical
Structure Type MOL
InChI Key ITPPQKITJRUBBW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
4.55
ALogP
5
HBA
0
HBD
57.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N2O3
MW 346.39
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.72

Activity Summary

IC50 1 meas. best 7.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4D
CHEMBL288
IC50 7.74 7.74 18.3 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