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Compound Detail

CHEMBL3754703

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COc1c(OCC=C(C)C)cc(O)c2c(=O)cc(-c3ccccc3)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3754703
Phase Preclinical
Structure Type MOL
InChI Key XGGOVTHLGSUXER-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
4.52
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20O5
MW 352.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 1.38

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00163C SW480 1
- 10.1039/C5MD00163C HT-29 1
- 10.1039/C5MD00163C NON-PROTEIN TARGET 1
- 10.1039/C5MD00163C HepG2 1
- 10.1039/C5MD00163C ADMET 1

Data from ChEMBL 36 via Core Engine