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Compound Detail

CHEMBL3334968

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COc1ccc(-c2cnc3snc(NC(=O)[C@H]4CC[C@H](C)CC4)c3c2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3334968
Phase Preclinical
Structure Type MOL
InChI Key GWNFAAADQPQPOU-HDJSIYSDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
5.14
ALogP
6
HBA
1
HBD
73.3
PSA (Ų)
0.63
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N3O3S
MW 411.53
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.06

Literature References

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

Data from ChEMBL 36 via Core Engine