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Compound Detail

CHEMBL5282830

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COc1ccc(C(=O)[C@@H]2O[C@]23C(=O)C[C@]2(C)[C@H]4C=C[C@]56C[C@]5(CC[C@H]6[C@H]5C(=O)O[C@@H](/C=C(\C)CO)[C@@H]5O)[C@]4(C)[C@H](O)C[C@H]2C3(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5282830
Phase Preclinical
Structure Type MOL
InChI Key ZLAKCSTYZWMDHX-YBSWHRFVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

660.8
MW (Da)
4.22
ALogP
9
HBA
3
HBD
142.9
PSA (Ų)
0.18
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H48O9
MW 660.80
Aromatic Rings 1
Heavy Atoms 48
NP-Likeness 2.29

Literature References

PubMed DOI Target Context # Activities
36583957 10.1021/acs.jnatprod.2c00971 HL-60 1
36583957 10.1021/acs.jnatprod.2c00971 A549 1

Data from ChEMBL 36 via Core Engine