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Compound Detail

CHEMBL222986

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CC(=O)N1N=C2c3cc(C)ccc3OC[C@H]2[C@@H]1c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222986
Phase Preclinical
Structure Type MOL
InChI Key RXIKMWLNXUCMHZ-APWZRJJASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
3.45
ALogP
3
HBA
0
HBD
41.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17FN2O2
MW 324.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
17361994 10.1021/jm061016o Jurkat 1

Data from ChEMBL 36 via Core Engine