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Compound Detail

CHEMBL5089842

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CC(C)N1CCN(c2ccc(S(=O)(=O)Oc3cc(F)cc(F)c3)cc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5089842
Phase Preclinical
Structure Type MOL
InChI Key FZCNTWUMENWGGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
3.38
ALogP
4
HBA
0
HBD
66.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18F2N2O4S
MW 396.42
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
34839998 10.1016/j.ejmech.2021.114003 Unchecked 2
34839998 10.1016/j.ejmech.2021.114003 HT-29 1
34839998 10.1016/j.ejmech.2021.114003 M21 1
34839998 10.1016/j.ejmech.2021.114003 MCF7 1

Data from ChEMBL 36 via Core Engine