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Compound Detail

CHEMBL4779413

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COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(-c3ccc(C(=O)OC(C)(C)C)cc3)n2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4779413
Phase Preclinical
Structure Type MOL
InChI Key BVYPHEPUOOBLJY-PWHKKFIBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

540.6
MW (Da)
6.60
ALogP
8
HBA
2
HBD
103.0
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H32N2O6
MW 540.62
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.14

Literature References

PubMed DOI Target Context # Activities
32403017 10.1016/j.ejmech.2020.112331 Unchecked 3

Data from ChEMBL 36 via Core Engine