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Compound Detail

CHEMBL3334967

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COc1ccc(-c2cnc3snc(NC(=O)C45CC6CC(CC(C6)C4)C5)c3c2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3334967
Phase Preclinical
Structure Type MOL
InChI Key OJYUDPPNNHFOOY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

449.6
MW (Da)
5.53
ALogP
6
HBA
1
HBD
73.3
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N3O3S
MW 449.58
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
25178155 10.1021/jm5007929 Serine/threonine-protein kinase 17B 2

Data from ChEMBL 36 via Core Engine