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Compound Detail

CHEMBL5595825

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CCOC(=O)CCCN(c1ccc2c(ccn2C)c1)S(=O)(=O)c1cc(OC)c(OC)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5595825
Phase Preclinical
Structure Type MOL
InChI Key QJETVICVWQMQGZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

490.6
MW (Da)
3.74
ALogP
8
HBA
0
HBD
96.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N2O7S
MW 490.58
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
38959729 10.1016/j.ejmech.2024.116617 HeLa 1

Data from ChEMBL 36 via Core Engine