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Compound Detail

CHEMBL3334947

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Nc1ccc(-c2cnc3snc(NC(=O)C4CCCCC4)c3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3334947
Phase Preclinical
Structure Type MOL
InChI Key NHJDUPAEUPZRBK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
4.46
ALogP
5
HBA
2
HBD
80.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N4OS
MW 352.46
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.33

Literature References

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

Data from ChEMBL 36 via Core Engine