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Compound Detail

CHEMBL256342

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Cn1cccc1C(=O)NCc1c(F)cccc1Cl

Basic Information

ChEMBL ID CHEMBL256342
Phase Preclinical
Structure Type MOL
InChI Key RLUOCUVCNYFENV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names

Molecular Properties

266.7
MW (Da)
2.75
ALogP
2
HBA
1
HBD
34.0
PSA (Ų)
0.91
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 C13H12ClFN2O
MW 266.70
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -2.33

Activity Summary

EC50 1 meas. best 6.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Jurkat
CHEMBL397
EC50 6.05 6.05 900.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 80.6 mL.min-1.g-1 Mus musculus
T1/2 0.2867 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Jurkat EC50 = 900.0 nM 6.05 Inhibition of TNF-alpha-induced necroptosis in FADD-deficient human Jurkat T cel... 18467094

Literature References

PubMed DOI Target Context # Activities
18467094 10.1016/j.bmcl.2008.04.048 Liver 2
18467094 10.1016/j.bmcl.2008.04.048 Jurkat 1

Data from ChEMBL 36 via Core Engine