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Compound Detail

CHEMBL5281621

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COCCOc1cc2ncnc(Nc3ccccc3S(=O)(=O)NC3CC3)c2cc1OCCOC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5281621
Phase Preclinical
Structure Type MOL
InChI Key MCPGZDJODSINLR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

488.6
MW (Da)
2.86
ALogP
9
HBA
2
HBD
120.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N4O6S
MW 488.57
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
37087886 10.1016/j.bmc.2023.117241 NCI-H1975 1
37087886 10.1016/j.bmc.2023.117241 NCI-H2228 1

Data from ChEMBL 36 via Core Engine