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Compound Detail

CHEMBL3334969

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COc1ccc(-c2cnc3snc(NC(=O)C4CCN(C(C)=O)CC4)c3c2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3334969
Phase Preclinical
Structure Type MOL
InChI Key BIGSGYCHKKCJMK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
3.57
ALogP
7
HBA
1
HBD
93.7
PSA (Ų)
0.65
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 C22H24N4O4S
MW 440.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.35

Literature References

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

Data from ChEMBL 36 via Core Engine