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Compound Detail

CHEMBL5172286

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CN1CCN(S(=O)(=O)c2ccc(-c3ccnc4[nH]ccc34)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5172286
Phase Preclinical
Structure Type MOL
InChI Key RIZFQGWQWCVHJZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
2.17
ALogP
4
HBA
1
HBD
69.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N4O2S
MW 356.45
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
35081715 10.1021/acs.jmedchem.0c02118 Serine/threonine-protein kinase Nek1 2
35081715 10.1021/acs.jmedchem.0c02118 Serine/threonine-protein kinase Nek2 1

Data from ChEMBL 36 via Core Engine