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Compound Detail

CHEMBL5592708

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COc1cc(S(=O)(=O)N(C)c2ccc3c(c2)c(C(=O)O)cn3C)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5592708
Phase Preclinical
Structure Type MOL
InChI Key MEUZYJSWFUQVJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
2.73
ALogP
7
HBA
1
HBD
107.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2O7S
MW 434.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.90

Literature References

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

Data from ChEMBL 36 via Core Engine