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Compound Detail

CHEMBL106060

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O=C(Nc1[nH]nc2cc(-c3ccc(O)nc3)ccc12)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL106060
Phase Preclinical
Structure Type MOL
InChI Key MNNYKYHFLQMZJS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
2.68
ALogP
4
HBA
3
HBD
90.9
PSA (Ų)
0.69
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 C16H14N4O2
MW 294.31
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.25

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
28377056 10.1016/j.bmcl.2017.03.056 Unchecked 1

Data from ChEMBL 36 via Core Engine