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Compound Detail

CHEMBL237401

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CCCCCc1ccc(S(=O)(=O)NCCc2nc(C3CC3)[nH]c2-c2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL237401
Phase Preclinical
Structure Type MOL
InChI Key SXISIULWCHSXDG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
5.22
ALogP
4
HBA
2
HBD
84.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H33N3O3S
MW 467.64
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
17656086 10.1016/j.bmcl.2007.07.011 Polyunsaturated fatty acid lipoxygenase ALOX15 2

Data from ChEMBL 36 via Core Engine