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Compound Detail

CHEMBL259595

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Cn1cc(C#N)cc1C(=O)NCc1c(F)cccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL259595
Phase Preclinical
Structure Type MOL
InChI Key SJOAQXYGAQSJAU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.7
MW (Da)
2.62
ALogP
3
HBA
1
HBD
57.8
PSA (Ų)
0.94
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 C14H11ClFN3O
MW 291.71
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.20

Literature References

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

Data from ChEMBL 36 via Core Engine