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Compound Detail

CHEMBL459710

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O=C(O)/C=C/c1ccc(-c2ccc(F)cc2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL459710
Phase Preclinical
Structure Type MOL
InChI Key FDYYVCWZNRFURU-KRXBUXKQSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

276.7
MW (Da)
4.24
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10ClFO2
MW 276.69
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.56

Activity Summary

IC50 2 meas. best 4.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.33 4.33 47000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 47000.0 nM 4.33 Antiproliferative activity against human H292 cells after 72 hrs by MTT assay 18759424

Literature References

PubMed DOI Target Context # Activities
18759424 10.1021/jm800456k NON-PROTEIN TARGET 5
18759424 10.1021/jm800456k DU-145 3
18759424 10.1021/jm800456k MDA-MB-231 3
18759424 10.1021/jm800456k KG-1 2
18759424 10.1021/jm800456k Tyrosine-protein phosphatase non-receptor type 11 1

Data from ChEMBL 36 via Core Engine