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Compound Detail

CHEMBL483658

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CCOc1cc(Cn2c3ccccc3c(=O)c3ccccc32)cc(OCC)c1

Basic Information

ChEMBL ID CHEMBL483658
Phase Preclinical
Structure Type MOL
InChI Key LVEWRZLGGTXJBD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
5.00
ALogP
4
HBA
0
HBD
40.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23NO3
MW 373.45
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.53

Activity Summary

IC50 1 meas. best 5.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CCRF-CEM
CHEMBL382
IC50 5.17 5.17 6700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CCRF-CEM IC50 = 6700.0 nM 5.17 Antiproliferative activity against human CCRF-CEM cells after 48 hrs by MTT assa... 18713666

Literature References

PubMed DOI Target Context # Activities
18713666 10.1016/j.bmc.2008.07.086 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine