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Compound Detail

CHEMBL428428

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Cn1c(C#N)ccc1S(=O)(=O)NCc1c(F)cccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL428428
Phase Preclinical
Structure Type MOL
InChI Key LPBWLOBWMUTDJC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.8
MW (Da)
2.17
ALogP
4
HBA
1
HBD
74.9
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11ClFN3O2S
MW 327.77
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.87

Literature References

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

Data from ChEMBL 36 via Core Engine