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Compound Detail

CHEMBL4444562

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

Basic Information

ChEMBL ID CHEMBL4444562
Phase Preclinical
Structure Type MOL
InChI Key ATUHCRPOJACLPO-DTIHPUMCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

514.7
MW (Da)
3.93
ALogP
7
HBA
2
HBD
110.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H42O7
MW 514.66
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness 3.19

Literature References

PubMed DOI Target Context # Activities
31117522 10.1021/acs.jnatprod.9b00042 HL-60 1
31117522 10.1021/acs.jnatprod.9b00042 A549 1

Data from ChEMBL 36 via Core Engine