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Compound Detail

CHEMBL3581419

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CO[C@H]1C[C@H]2[C@](C)(C3=C(C)[C@H](c4ccoc4)C[C@@H]3O1)[C@H](O)[C@@H]1OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(=O)c4ccccc4)[C@@]2(C)[C@@H]13
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3581419
Phase Preclinical
Structure Type MOL
InChI Key QCDUZQJTCDFJLU-AZOYZBKUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

620.7
MW (Da)
5.43
ALogP
9
HBA
1
HBD
113.7
PSA (Ų)
0.35
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C36H44O9
MW 620.74
Aromatic Rings 2
Heavy Atoms 45
NP-Likeness 2.88

Literature References

PubMed DOI Target Context # Activities
25798528 10.1021/np501057f Tobacco mosaic virus 4
25798528 10.1021/np501057f HL-60 1
25798528 10.1021/np501057f SMMC-7721 1
25798528 10.1021/np501057f A549 1
25798528 10.1021/np501057f MCF7 1
25798528 10.1021/np501057f SW480 1
34357755 10.1021/acs.jnatprod.1c00519 RAW264.7 1
34357755 10.1021/acs.jnatprod.1c00519 Unchecked 1

Data from ChEMBL 36 via Core Engine