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Compound Detail

CHEMBL4528836

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Cc1ccc(-c2c(OCC(=O)Nc3ccc(Br)cc3)oc3ccccc3c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4528836
Phase Preclinical
Structure Type MOL
InChI Key HCBJVTKSPTXJQH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

464.3
MW (Da)
5.55
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18BrNO4
MW 464.32
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.79

Literature References

PubMed DOI Target Context # Activities
30594677 10.1016/j.ejmech.2018.12.019 Broad substrate specificity ATP-binding cassette transporter ABCG2 2
30594677 10.1016/j.ejmech.2018.12.019 ATP-dependent translocase ABCB1 1

Data from ChEMBL 36 via Core Engine