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Compound Detail

CHEMBL218788

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C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)CCC=C(C)[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL218788
Phase Preclinical
Structure Type MOL
InChI Key UHODXTMZSDNATP-COMQUAJESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
3.24
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H20O2
MW 232.32
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 3.65

Literature References

PubMed DOI Target Context # Activities
16945528 10.1016/j.bmcl.2006.08.021 UDP-N-acetylglucosamine 1-carboxyvinyltransferase 3

Data from ChEMBL 36 via Core Engine