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Compound Detail

CHEMBL478300

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C[C@@H]1CC[C@@H]2[C@]34OO[C@@](C)(CC[C@@H]13)O[C@H]4OC(=O)[C@@]2(C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL478300
Phase Preclinical
Structure Type MOL
InChI Key MEVHFPBUUJOFHY-VKXHGUSDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
1.51
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H22O6
MW 298.33
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 3.86

Literature References

PubMed DOI Target Context # Activities
8350087 10.1021/np50096a007 NON-PROTEIN TARGET 3
17618015 10.1016/j.ejmech.2007.04.019 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine