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Compound Detail

CHEMBL28251

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CN(C)c1ccc(/C=C2\CCc3ccccc3C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL28251
Phase Preclinical
Structure Type MOL
InChI Key OZRILDJFQSECBV-DTQAZKPQSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

277.4
MW (Da)
3.97
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19NO
MW 277.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.61

Activity Summary

IC50 4 meas. best 5.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CCRF-CEM
CHEMBL382
 IC50 5.78 5.78 1650.0 1
MOLT-4
CHEMBL614177
 IC50 5.68 5.68 2110.0 1
P388
CHEMBL389
 IC50 5.28 5.28 5300.0 1
L1210
CHEMBL386
 IC50 4.76 4.76 17500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CCRF-CEM IC50 = 1650.0 nM 5.78 Inhibitory activity was tested against CEM cells 10212121
MOLT-4 IC50 = 2110.0 nM 5.68 Inhibitory activity was tested against Molt4/C8 cells 10212121
P388 IC50 = 5300.0 nM 5.28 Inhibitory activity was tested against P388 cells 10212121
L1210 IC50 = 17500.0 nM 4.76 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