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Compound Detail

CHEMBL1682845

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COc1ccccc1CNc1cc(-c2ccncn2)cc(=O)n1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1682845
Phase Preclinical
Structure Type MOL
InChI Key DCTKZFRGADBNBO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
2.46
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.78
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 C18H18N4O2
MW 322.37
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.15

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