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Compound Detail

CHEMBL5273668

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COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(OC)c1

Basic Information

ChEMBL ID CHEMBL5273668
Phase Preclinical
Structure Type MOL
InChI Key MIGZPDXSSYXRKK-SREVYHEPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
3.90
ALogP
5
HBA
0
HBD
46.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22O5
MW 330.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.15

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
B16-F10
CHEMBL612656
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
B16-F10 IC50 = 1000.0 nM 6.0 Anti cancer activity against mouse B16-F10 cells assessed as cell growth inhibit... 32485531

Literature References

PubMed DOI Target Context # Activities
32485531 10.1016/j.ejmech.2020.112356 B16-F10 1

Data from ChEMBL 36 via Core Engine