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Compound Detail

CHEMBL3334505

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

Basic Information

ChEMBL ID CHEMBL3334505
Phase Preclinical
Structure Type MOL
InChI Key ILORNXFIWUODBX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.5
MW (Da)
4.36
ALogP
6
HBA
1
HBD
73.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N3O3S
MW 371.46
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.03

Literature References

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

Data from ChEMBL 36 via Core Engine