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Compound Detail

CHEMBL280221

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O=C(Nc1[nH]nc2cc(-c3ccccc3F)ccc12)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL280221
Phase Preclinical
Structure Type MOL
InChI Key SZDLGVASFQVVNY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

295.3
MW (Da)
3.72
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.77
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 C17H14FN3O
MW 295.32
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
12941333 10.1016/s0960-894x(03)00646-2 Glycogen synthase kinase-3 alpha 1
12941333 10.1016/s0960-894x(03)00646-2 Cyclin-dependent kinase 2 1
- 10.6019/CHEMBL3988181 Unchecked 1

Data from ChEMBL 36 via Core Engine