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Compound Detail

CHEMBL202698

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COc1ccccc1N1CCN(C(=O)CCCCC(=O)N2CCN(c3ccccc3OC)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL202698
Phase Preclinical
Structure Type MOL
InChI Key WFLALTWWJVKVET-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

494.6
MW (Da)
3.26
ALogP
6
HBA
0
HBD
65.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H38N4O4
MW 494.64
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.67

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