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Compound Detail

CHEMBL394260

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Oc1ccccc1/C=N/c1ccc(F)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL394260
Phase Preclinical
Structure Type MOL
InChI Key YQJKZORFKYYLMC-LZYBPNLTSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

249.7
MW (Da)
3.94
ALogP
2
HBA
1
HBD
32.6
PSA (Ų)
0.80
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 C13H9ClFNO
MW 249.67
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.68

Activity Summary

IC50 3 meas. best 4.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 4.17 4.17 68000.0 1
CCRF-CEM
CHEMBL382
 IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 68000.0 nM 4.17 Cytotoxicity against mouse L1210 cells 17765549
CCRF-CEM IC50 = 100000.0 nM 4.0 Cytotoxicity against human CEM cells 17765549

Literature References

PubMed DOI Target Context # Activities
17765549 10.1016/j.bmc.2007.08.014 L1210 1
17765549 10.1016/j.bmc.2007.08.014 NON-PROTEIN TARGET 1
17765549 10.1016/j.bmc.2007.08.014 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine