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Compound Detail

CHEMBL185651

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Basic Information

ChEMBL ID CHEMBL185651
Phase Preclinical
Structure Type MOL
InChI Key MNOJRWOWILAHAV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

173.0
MW (Da)
2.15
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H5BrO
MW 173.01
Aromatic Rings 1
Heavy Atoms 8
NP-Likeness -0.08

Literature References

PubMed DOI Target Context # Activities
16279782 10.1021/jm050567w L1210 3
894678 10.1021/jm00218a017 No relevant target 2
15267244 10.1021/jm049872s No relevant target 1
15267244 10.1021/jm049872s Polyunsaturated fatty acid lipoxygenase ALOX12 1
15267244 10.1021/jm049872s Polyunsaturated fatty acid lipoxygenase ALOX15 1
15267244 10.1021/jm049872s Unchecked 1
19056282 10.1016/j.bmc.2008.11.040 ADMET 1

Data from ChEMBL 36 via Core Engine