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Compound Detail

CHEMBL282962

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O=C1/C(=C/c2cccc(F)c2)Cc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL282962
Phase Preclinical
Structure Type MOL
InChI Key JMCDWSXNAOUYOU-MDWZMJQESA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

238.3
MW (Da)
3.65
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 C16H11FO
MW 238.26
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.76

Activity Summary

IC50 4 meas. best 4.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CCRF-CEM
CHEMBL382
 IC50 4.41 4.41 39200.0 1
P388
CHEMBL389
 IC50 4.4 4.4 40000.0 1
MOLT-4
CHEMBL614177
 IC50 4.34 4.34 46100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CCRF-CEM IC50 = 39200.0 nM 4.41 Inhibitory activity was tested against CEM cells 10212121
P388 IC50 = 40000.0 nM 4.4 Inhibitory activity was tested against P388 cells 10212121
MOLT-4 IC50 = 46100.0 nM 4.34 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
28384544 10.1016/j.ejmech.2017.03.049 RAW264.7 2
28646757 10.1016/j.ejmech.2017.06.018 HT-29 1

Data from ChEMBL 36 via Core Engine