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Compound Detail

CHEMBL1682843

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COc1cccc(CCNc2cc(-c3ccncn3)cc(=O)n2C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1682843
Phase Preclinical
Structure Type MOL
InChI Key SQCLECRMBNUOAP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
2.51
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N4O2
MW 336.40
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
21295469 10.1016/j.bmcl.2011.01.017 Glycogen synthase kinase-3 beta 2

Data from ChEMBL 36 via Core Engine