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Compound Detail

CHEMBL282171

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O=C1/C(=C/c2cccc(F)c2)CCCc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL282171
Phase Preclinical
Structure Type MOL
InChI Key RAZAJNVRLMAZGG-RVDMUPIBSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
4.43
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.55
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 C18H15FO
MW 266.31
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.93

Activity Summary

IC50 4 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
P388
CHEMBL389
 IC50 4.96 4.96 10900.0 1
CCRF-CEM
CHEMBL382
 IC50 4.95 4.95 11200.0 1
MOLT-4
CHEMBL614177
 IC50 4.55 4.55 28300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
P388 IC50 = 10900.0 nM 4.96 Inhibitory activity was tested against P388 cells 10212121
CCRF-CEM IC50 = 11200.0 nM 4.95 Inhibitory activity was tested against CEM cells 10212121
MOLT-4 IC50 = 28300.0 nM 4.55 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
10212121 10.1021/jm9806695 Tumor Cell line 1

Data from ChEMBL 36 via Core Engine