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Compound Detail

CHEMBL2068898

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C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=N\O)CC[C@]12O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2068898
Phase Preclinical
Structure Type MOL
InChI Key WZLOYAKRGVSIHT-SSNHSZCTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.5
MW (Da)
3.58
ALogP
4
HBA
3
HBD
73.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H33NO3
MW 335.49
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 2.44

Literature References

PubMed DOI Target Context # Activities
10882359 10.1021/jm990627w Sodium/potassium-transporting ATPase subunit alpha-1 1

Data from ChEMBL 36 via Core Engine