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Compound Detail

CHEMBL156843

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CC(C)C=C(c1ccc(O)cc1)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL156843
Phase Preclinical
Structure Type MOL
InChI Key DDEWRRMILVWZOZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
4.19
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18O2
MW 254.33
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.44

Activity Summary

EC50 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MCF7S
CHEMBL614328
 EC50 7.75 7.75 18.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MCF7S EC50 = 18.0 nM 7.75 Agonist activity against MCF-7 cell proliferation 1738150

Literature References

PubMed DOI Target Context # Activities
1738150 10.1021/jm00081a021 MCF7S 6
1738150 10.1021/jm00081a021 Estrogen receptor 2
1738150 10.1021/jm00081a021 Protein kinase C, PKC; classical 2
1738150 10.1021/jm00081a021 BT-20 2
1738150 10.1021/jm00081a021 Unchecked 1

Data from ChEMBL 36 via Core Engine