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Compound Detail

CHEMBL1814453

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COc1cc(OC)c2c(c1)O/C(=C\c1ccc(C3CCCCC3)cc1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814453
Phase Preclinical
Structure Type MOL
InChI Key ZGGWCYUEHPMSJT-MTJSOVHGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
5.37
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.68
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24O4
MW 364.44
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.22

Literature References

PubMed DOI Target Context # Activities
21699179 10.1021/jm200242p Unchecked 2
21699179 10.1021/jm200242p Huh-7 1
21699179 10.1021/jm200242p HEK293 1

Data from ChEMBL 36 via Core Engine