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Compound Detail

CHEMBL484343

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CC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL484343
Phase Preclinical
Structure Type MOL
InChI Key OMHXSAMFEJVCPT-FGMNWAPQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.5
MW (Da)
1.07
ALogP
8
HBA
3
HBD
130.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H32O8
MW 448.51
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 3.21

Literature References

PubMed DOI Target Context # Activities
19361196 10.1021/jm9001007 Transient receptor potential cation channel subfamily V member 4 1

Data from ChEMBL 36 via Core Engine