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Compound Detail

CHEMBL5566545

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CCOc1nc(Cl)cc2nn(CCCC(=O)NO)cc12

Basic Information

ChEMBL ID CHEMBL5566545
Phase Preclinical
Structure Type MOL
InChI Key LFHQYDGMWRQMDR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.7
MW (Da)
1.77
ALogP
6
HBA
2
HBD
89.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15ClN4O3
MW 298.73
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.39

Activity Summary

IC50 1 meas. best 7.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3',5'-cyclic-AMP phosphodiesterase 4D
CHEMBL288
IC50 7.29 7.29 51.7 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