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Compound Detail

CHEMBL468957

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COC(=O)c1ccc(Cl)cc1NC(=O)c1c(F)cccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL468957
Phase Preclinical
Structure Type MOL
InChI Key WXFKZUKLHCWFBX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

325.7
MW (Da)
3.66
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.88
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 C15H10ClF2NO3
MW 325.70
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.64

Activity Summary

IC50 2 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Blood
CHEMBL613416
 IC50 6.16 5.305 700.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Blood IC50 = 700.0 nM 6.16 Inhibition of arachidonic acid-induced platelet aggregation in human blood after... 18407506
Blood IC50 = 35800.0 nM 4.45 Inhibition of thrombin-induced platelet aggregation in human blood after 3 mins ... 18407506

Literature References

PubMed DOI Target Context # Activities
18407506 10.1016/j.bmc.2008.03.071 Blood 4
18407506 10.1016/j.bmc.2008.03.071 Platelet 2

Data from ChEMBL 36 via Core Engine