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Compound Detail

CHEMBL204926

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CCOC(=O)C1CCN(CCC(=O)Nc2cc(C)cc(C)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL204926
Phase Preclinical
Structure Type MOL
InChI Key JHALSLBAXTWTGD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
2.91
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H28N2O3
MW 332.44
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
16480270 10.1021/jm050639j Polyunsaturated fatty acid lipoxygenase ALOX15 1
16480270 10.1021/jm050639j Polyunsaturated fatty acid lipoxygenase ALOX12 1

Data from ChEMBL 36 via Core Engine