Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL107524

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1ccccc1/C=C1\Cc2ccccc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL107524
Phase Preclinical
Structure Type MOL
InChI Key HSYNVFYZSRFHGY-XNTDXEJSSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

234.3
MW (Da)
3.82
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14O
MW 234.30
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.45

Activity Summary

IC50 4 meas. best 4.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
P388
CHEMBL389
 IC50 4.62 4.62 23900.0 1
CCRF-CEM
CHEMBL382
 IC50 4.25 4.25 56500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
P388 IC50 = 23900.0 nM 4.62 Inhibitory activity against Murine P388 cells 12086496
CCRF-CEM IC50 = 56500.0 nM 4.25 Inhibitory concentration against CEM T-lymphocytes 12086496

Literature References

PubMed DOI Target Context # Activities
12086496 10.1021/jm010559p P388 1
12086496 10.1021/jm010559p L1210 1
12086496 10.1021/jm010559p NON-PROTEIN TARGET 1
12086496 10.1021/jm010559p CCRF-CEM 1

Data from ChEMBL 36 via Core Engine