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Compound Detail

CHEMBL5434311

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COc1c2c(c(C=O)c3c1C(=O)OC3)O[C@]1(C)CC[C@@]3(O)C(C)(C)[C@H](O)CC[C@]3(C)[C@H]1C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5434311
Phase Preclinical
Structure Type MOL
InChI Key GCJQHJZHVFVLEP-LGDYHXFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

444.5
MW (Da)
3.20
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32O7
MW 444.52
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 2.59

Literature References

PubMed DOI Target Context # Activities
38128907 10.1021/acs.jnatprod.3c00986 Splenocyte 3

Data from ChEMBL 36 via Core Engine