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Compound Detail

CHEMBL1644613

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COc1cc(O)c(C(=O)/C(C)=C/c2ccccc2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1644613
Phase Preclinical
Structure Type MOL
InChI Key TUMYDFOVNGBOHD-FMIVXFBMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
3.70
ALogP
4
HBA
1
HBD
55.8
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 C18H18O4
MW 298.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.42

Literature References

PubMed DOI Target Context # Activities
21112783 10.1016/j.bmcl.2010.10.063 Unchecked 1
21112783 10.1016/j.bmcl.2010.10.063 ADMET 1
32208222 10.1016/j.ejmech.2020.112216 RAW264.7 1

Data from ChEMBL 36 via Core Engine