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Compound Detail

CHEMBL27535

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O=C1/C(=C/c2ccc(F)cc2)CCCc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL27535
Phase Preclinical
Structure Type MOL
InChI Key ICCNQCYBMACSJF-NTCAYCPXSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
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 -0.79

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 11100.0 1
CCRF-CEM
CHEMBL382
 IC50 4.7 4.7 20000.0 1
MOLT-4
CHEMBL614177
 IC50 4.27 4.27 53600.0 1
L1210
CHEMBL386
 IC50 4.22 4.22 60300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
P388 IC50 = 11100.0 nM 4.96 Inhibitory activity was tested against P388 cells 10212121
CCRF-CEM IC50 = 20000.0 nM 4.7 Inhibitory activity was tested against CEM cells 10212121
MOLT-4 IC50 = 53600.0 nM 4.27 Inhibitory activity was tested against Molt4/C8 cells 10212121
L1210 IC50 = 60300.0 nM 4.22 Inhibitory activity was tested against L1210 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