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Compound Detail

CHEMBL5180705

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COCCNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5180705
Phase Preclinical
Structure Type MOL
InChI Key ZYATUYCRVVMUIO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
2.15
ALogP
4
HBA
2
HBD
84.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N3O3S
MW 331.40
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.25

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