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Compound Detail

CHEMBL5592515

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CCOc1nc(C#N)cc2c1cnn2C1CCOCC1

Basic Information

ChEMBL ID CHEMBL5592515
Phase Preclinical
Structure Type MOL
InChI Key IKEWTBGOFWUFEW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.3
MW (Da)
2.05
ALogP
6
HBA
0
HBD
73.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16N4O2
MW 272.31
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.60

Activity Summary

IC50 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4D
CHEMBL288
IC50 6.64 6.64 230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38156615 10.1021/acs.jmedchem.3c02087 3',5'-cyclic-AMP phosphodiesterase 4D 3

Data from ChEMBL 36 via Core Engine