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Compound Detail

CHEMBL5086345

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Cc1n[nH]c2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)nc(OCCCN)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5086345
Phase Preclinical
Structure Type MOL
InChI Key CVWBCRURJFFDOF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

490.9
MW (Da)
3.65
ALogP
7
HBA
3
HBD
135.9
PSA (Ų)
0.32
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20ClFN6O3S
MW 490.95
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -2.00

Literature References

PubMed DOI Target Context # Activities
34931844 10.1021/acs.jmedchem.1c01601 Serine/threonine-protein kinase Sgk1 2

Data from ChEMBL 36 via Core Engine