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Compound Detail

CHEMBL3334976

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COc1ccc(-c2cnc3snc(NC(=O)C4CCCCC4)c3n2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3334976
Phase Preclinical
Structure Type MOL
InChI Key MLLIMFOPUDXFHT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
4.29
ALogP
7
HBA
1
HBD
86.2
PSA (Ų)
0.69
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 C20H22N4O3S
MW 398.49
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.24

Literature References

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

Data from ChEMBL 36 via Core Engine