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Compound Detail

CHEMBL304489

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CC(C)(C)c1cc(/C=C2/CCN(c3ccc(Cl)cc3)S2(=O)=O)cc(C(C)(C)C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL304489
Phase Preclinical
Structure Type MOL
InChI Key KYVQOTMVUACBCO-UYRXBGFRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.0
MW (Da)
6.22
ALogP
3
HBA
1
HBD
57.6
PSA (Ų)
0.59
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30ClNO3S
MW 448.03
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
10821716 10.1021/jm9906015 Cyclooxygenase 1

Data from ChEMBL 36 via Core Engine