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Compound Detail

CHEMBL261302

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CC(c1ccccc1)n1cccc1C(=O)NCc1c(F)cccc1Cl

Basic Information

ChEMBL ID CHEMBL261302
Phase Preclinical
Structure Type MOL
InChI Key YHGXVFKHWXRDGR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.8
MW (Da)
4.82
ALogP
2
HBA
1
HBD
34.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18ClFN2O
MW 356.83
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.67

Literature References

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

Data from ChEMBL 36 via Core Engine