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Compound Detail

CHEMBL5281327

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CNS(=O)(=O)c1ccccc1Nc1ncnc2cc(OCCOC)c(OCCOC)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5281327
Phase Preclinical
Structure Type MOL
InChI Key ZKMYSLSBOJQLBO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

462.5
MW (Da)
2.33
ALogP
9
HBA
2
HBD
120.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N4O6S
MW 462.53
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.23

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