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Compound Detail

CHEMBL457384

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CC(=O)[C@@H]1CC[C@@H](C)[C@@H]2CC[C@@]3(C)OO[C@@]12C(=O)O3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL457384
Phase Preclinical
Structure Type MOL
InChI Key CKWHFVPMPAPBRL-VYHWLMCUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
1.99
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.54
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 C14H20O5
MW 268.31
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 2.99

Literature References

PubMed DOI Target Context # Activities
8350087 10.1021/np50096a007 NON-PROTEIN TARGET 3

Data from ChEMBL 36 via Core Engine