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Compound Detail

CHEMBL467338

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COc1ccc(CCc2cc(OC)cc(OC)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467338
Phase Preclinical
Structure Type MOL
InChI Key IMBWDLGZWDZTMN-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

272.3
MW (Da)
3.50
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20O3
MW 272.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.02

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15043422 10.1021/np0303153 Unchecked 2
21514702 10.1016/j.ejmech.2011.03.057 Unchecked 1
21514702 10.1016/j.ejmech.2011.03.057 Calmodulin-1 1

Data from ChEMBL 36 via Core Engine