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Compound Detail

CHEMBL3288727

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COc1cc(OC)c2c(=O)cc(-c3ccc(Br)cc3)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3288727
Phase Preclinical
Structure Type MOL
InChI Key BUDUNOOAIPZWND-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

361.2
MW (Da)
4.24
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.70
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 C17H13BrO4
MW 361.19
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.53

Literature References

PubMed DOI Target Context # Activities
24837156 10.1016/j.bmc.2014.04.043 NON-PROTEIN TARGET 3
26602279 10.1016/j.bmcl.2015.11.026 Receptor-type tyrosine-protein phosphatase S 2

Data from ChEMBL 36 via Core Engine