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Compound Detail

CHEMBL5562969

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CCOc1cc(C2Oc3c(OCC)cc(CCCOS(C)(=O)=O)cc3C2COS(C)(=O)=O)ccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5562969
Phase Preclinical
Structure Type MOL
InChI Key HKVCSLSTNGMOKE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

558.7
MW (Da)
3.59
ALogP
10
HBA
0
HBD
123.7
PSA (Ų)
0.25
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H34O10S2
MW 558.67
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness 0.64

Literature References

PubMed DOI Target Context # Activities
38489246 10.1021/acs.jmedchem.3c02424 3',5'-cyclic-AMP phosphodiesterase 4D 3

Data from ChEMBL 36 via Core Engine