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Compound Detail

CHEMBL237020

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

Basic Information

ChEMBL ID CHEMBL237020
Phase Preclinical
Structure Type MOL
InChI Key BETXSZGRJHQKGX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.6
MW (Da)
4.34
ALogP
4
HBA
2
HBD
84.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29N3O3S
MW 427.57
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
17656086 10.1016/j.bmcl.2007.07.011 Polyunsaturated fatty acid lipoxygenase ALOX15 1

Data from ChEMBL 36 via Core Engine