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Compound Detail

CHEMBL383552

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COc1ccc(Cl)cc1NC(=O)c1oc2ccccc2c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL383552
Phase Preclinical
Structure Type MOL
InChI Key HWCCEJOUUDVNOZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

315.8
MW (Da)
4.66
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14ClNO3
MW 315.76
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.40

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