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Compound Detail

CHEMBL3334957

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O=C(Nc1nsc2ncc(-c3ccoc3)cc12)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3334957
Phase Preclinical
Structure Type MOL
InChI Key NETSJXIWMIAOFW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
4.47
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.77
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 C17H17N3O2S
MW 327.41
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.19

Literature References

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

Data from ChEMBL 36 via Core Engine