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Compound Detail

CHEMBL4210279

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COC1=CC(=O)[C@]2(C)C(=O)[C@@]1(CCC(=O)c1ccccc1)[C@H]1c3c(cc(O)c(C)c3OC)O[C@]2(c2ccccc2)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4210279
Phase Preclinical
Structure Type MOL
InChI Key VDIBBLGGDCPWMD-NQHVLYLRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

568.6
MW (Da)
4.79
ALogP
8
HBA
2
HBD
119.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C34H32O8
MW 568.62
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness 1.33

Literature References

PubMed DOI Target Context # Activities
28398735 10.1021/acs.jnatprod.7b00039 Neutrophil 2

Data from ChEMBL 36 via Core Engine