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Compound Detail

CHEMBL5282431

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COc1ccc([C@H]2C=C3[C@@H](C[C@]4(C)[C@H]5C=C[C@]67C[C@]6(CC[C@H]7[C@H]6CO[C@@H](/C=C(\C)CO)[C@@H]6O)[C@]5(C)[C@H](O)C[C@H]4C3(C)C)OO2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5282431
Phase Preclinical
Structure Type MOL
InChI Key ZSULIHHVVNHDIW-SJPZSOQZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

632.8
MW (Da)
6.10
ALogP
7
HBA
3
HBD
97.6
PSA (Ų)
0.27
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H52O7
MW 632.84
Aromatic Rings 1
Heavy Atoms 46
NP-Likeness 2.82

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