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Compound Detail

CHEMBL248600

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CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(OS(N)(=O)=O)cc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL248600
Phase Preclinical
Structure Type MOL
InChI Key GSOOYKWNAACLOJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
3.32
ALogP
5
HBA
1
HBD
106.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2O5S
MW 402.47
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
17845850 10.1016/j.bmcl.2007.01.088 Unchecked 1

Data from ChEMBL 36 via Core Engine