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Compound Detail

CHEMBL284878

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Cc1cccc(/C=C2\Cc3ccccc3C2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL284878
Phase Preclinical
Structure Type MOL
InChI Key VVLDMLRTNDUXKS-XNTDXEJSSA-N
4
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 4.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
P388
CHEMBL389
 IC50 4.6 4.6 24900.0 1
CCRF-CEM
CHEMBL382
 IC50 4.38 4.38 41300.0 1
L1210
CHEMBL386
 IC50 4.3 4.3 50400.0 1
MOLT-4
CHEMBL614177
 IC50 4.09 4.09 80300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
P388 IC50 = 24900.0 nM 4.6 Inhibitory activity was tested against P388 cells 10212121
CCRF-CEM IC50 = 41300.0 nM 4.38 Inhibitory activity was tested against CEM cells 10212121
L1210 IC50 = 50400.0 nM 4.3 Inhibitory activity was tested against L1210 cells 10212121
MOLT-4 IC50 = 80300.0 nM 4.09 Inhibitory activity was tested against Molt4/C8 cells 10212121

Literature References

PubMed DOI Target Context # Activities
10212121 10.1021/jm9806695 P388 2
10212121 10.1021/jm9806695 L1210 2
10212121 10.1021/jm9806695 MOLT-4 2
10212121 10.1021/jm9806695 CCRF-CEM 2

Data from ChEMBL 36 via Core Engine