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Compound Detail

CHEMBL389775

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CC(C)=CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL389775
Phase Preclinical
Structure Type MOL
InChI Key VMEFVQNNCPFFIP-UKTHLTGXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

289.4
MW (Da)
3.36
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15NO3S
MW 289.36
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
17197183 10.1016/j.bmcl.2006.12.040 Unchecked 1

Data from ChEMBL 36 via Core Engine