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Compound Detail

CHEMBL4848923

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COc1ccc2c(c1)CCN=C2Cc1ccc(OCc2ccccc2)c(OC)c1C

Basic Information

ChEMBL ID CHEMBL4848923
Phase Preclinical
Structure Type MOL
InChI Key PYKCQRCJADBTTB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
5.18
ALogP
4
HBA
0
HBD
40.0
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27NO3
MW 401.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.08

Activity Summary

IC50 1 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.17 7.17 68.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 68.0 nM 7.17 Inhibition of GST-tagged recombinant RANKL/M-CSF-induced osteoclastogenesis in C... 33158578

Literature References

PubMed DOI Target Context # Activities
33158578 10.1016/j.ejmech.2020.112982 Unchecked 6

Data from ChEMBL 36 via Core Engine