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Compound Detail

CHEMBL4440868

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COc1c(OCCCCCBr)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4440868
Phase Preclinical
Structure Type MOL
InChI Key SOSXCNZVYXZKAZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

557.5
MW (Da)
7.30
ALogP
6
HBA
1
HBD
78.1
PSA (Ų)
0.13
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33BrO6
MW 557.48
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness 2.20

Literature References

PubMed DOI Target Context # Activities
32115956 10.1021/acs.jmedchem.0c00060 3',5'-cyclic-AMP phosphodiesterase 4D 1

Data from ChEMBL 36 via Core Engine