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Compound Detail

CHEMBL3110137

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O=C1NC(=O)c2c1c1cnn(-c3ccc(Cl)cc3)c1n1cccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3110137
Phase Preclinical
Structure Type MOL
InChI Key SHNHVMHKOCCKKL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.7
MW (Da)
2.82
ALogP
5
HBA
1
HBD
68.4
PSA (Ų)
0.54
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 C17H9ClN4O2
MW 336.74
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
24295046 10.1021/jm401466v Glycogen synthase kinase-3 beta 1

Data from ChEMBL 36 via Core Engine