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Compound Detail

CHEMBL513679

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C=C1[C@@H]2CC[C@@]3(C)[C@@H](c4ccoc4)OC(=O)C[C@@]13O[C@H]1CC(=O)C(C)(C)[C@H](C(O)C(=O)OC)[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL513679
Phase Preclinical
Structure Type MOL
InChI Key GOYZKWCPWBKPIG-OSEAVKMZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

486.6
MW (Da)
3.53
ALogP
8
HBA
1
HBD
112.3
PSA (Ų)
0.51
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 C27H34O8
MW 486.56
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness 2.89

Literature References

PubMed DOI Target Context # Activities
18341288 10.1021/np800001v Unchecked 1

Data from ChEMBL 36 via Core Engine