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Compound Detail

CHEMBL39803

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O=C(O)Cc1ccc(CSc2nnc(-c3cccnc3)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL39803
Phase Preclinical
Structure Type MOL
InChI Key DDKQEIHCGULREH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
3.52
ALogP
6
HBA
1
HBD
76.0
PSA (Ų)
0.69
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 C16H13N3O2S2
MW 343.43
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.74

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