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Compound Detail

CHEMBL5428308

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COc1cccnc1Nc1ncc(-c2cc3c(c(OC)c2)C(=O)N(CC(F)(F)F)CC3)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5428308
Phase Preclinical
Structure Type MOL
InChI Key FNHPSVDTYLETDC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

464.5
MW (Da)
4.53
ALogP
7
HBA
1
HBD
76.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19F3N4O3S
MW 464.47
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
37467565 10.1016/j.bmc.2023.117414 Serine/threonine-protein kinase SIK2 1
37467565 10.1016/j.bmc.2023.117414 Serine/threonine-protein kinase SIK1 1
37467565 10.1016/j.bmc.2023.117414 Serine/threonine-protein kinase SIK3 1

Data from ChEMBL 36 via Core Engine