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Compound Detail

CHEMBL5561279

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COc1ccc([C@H]2Oc3c(OC)ccc(CCCO)c3[C@@H]2CO)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5561279
Phase Preclinical
Structure Type MOL
InChI Key XAEDJWLNMPBRLU-MGPUTAFESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
2.85
ALogP
6
HBA
2
HBD
77.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26O6
MW 374.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 1.12

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