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Compound Detail

CHEMBL37826

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Cc1nc(-c2cccc(CSc3nnc(-c4ccncc4)o3)c2)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL37826
Phase Preclinical
Structure Type MOL
InChI Key QQLHUYQKOHVBKE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
3.78
ALogP
8
HBA
0
HBD
90.7
PSA (Ų)
0.50
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 C17H13N5O2S
MW 351.39
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -2.47

Literature References

PubMed DOI Target Context # Activities
12031334 10.1016/s0960-894x(02)00169-5 Glycogen synthase kinase-3 beta 1

Data from ChEMBL 36 via Core Engine