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Compound Detail

CHEMBL4850105

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CS(=O)(=O)c1ccc([C@H]2c3ccccc3CCN2C(=O)OC2CN3CCC2CC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4850105
Phase Preclinical
Structure Type MOL
InChI Key MYIPWMCQVHNSCV-WCSIJFPASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
3.27
ALogP
5
HBA
0
HBD
66.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N2O4S
MW 440.57
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
34153473 10.1016/j.bmcl.2021.128209 Unchecked 1

Data from ChEMBL 36 via Core Engine