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Compound Detail

CHEMBL1593604

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CC(=O)NC(c1ccco1)c1cc(Cl)c2ccc(N3CCCCC3)nc2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1593604
Phase Preclinical
Structure Type MOL
InChI Key RVUIPIKGXRTZHY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.9
MW (Da)
4.40
ALogP
5
HBA
2
HBD
78.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22ClN3O3
MW 399.88
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
21739938 10.1021/jm2005089 Polyunsaturated fatty acid lipoxygenase ALOX12 1

Data from ChEMBL 36 via Core Engine