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Compound Detail

CHEMBL5571426

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CCOc1nc(Cl)cc2nn(C3CCOCC3)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5571426
Phase Preclinical
Structure Type MOL
InChI Key WWWQFXXVBYVGSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

281.7
MW (Da)
2.83
ALogP
5
HBA
0
HBD
49.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16ClN3O2
MW 281.74
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.29

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