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Compound Detail

CHEMBL374194

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CC(=O)O[C@H]1C[C@@H](C=O)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O

Basic Information

ChEMBL ID CHEMBL374194
Phase Preclinical
Structure Type MOL
InChI Key AQCNMBKWURYSKU-XNRHGJAWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
3.03
ALogP
7
HBA
0
HBD
99.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26O7
MW 402.44
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 3.03

Literature References

PubMed DOI Target Context # Activities
16945525 10.1016/j.bmcl.2006.08.051 Kappa-type opioid receptor 3

Data from ChEMBL 36 via Core Engine