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Compound Detail

CHEMBL606248

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COc1cc(C(=O)c2cc3cccc(OC)c3o2)cc(OC)c1OC

Basic Information

ChEMBL ID CHEMBL606248
Phase Preclinical
Structure Type MOL
InChI Key FWKZCCHHCRAQBR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
3.70
ALogP
6
HBA
0
HBD
67.1
PSA (Ų)
0.64
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 C19H18O6
MW 342.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.14

Activity Summary

IC50 1 meas. best 5.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
IC50 5.11 5.11 7800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 7800.0 nM 5.11 Cytotoxicity against human Molt4/C8 cells after 2 days 19736015

Literature References

Data from ChEMBL 36 via Core Engine