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Compound Detail

CHEMBL4567676

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COc1ccc(-c2c(OCC(=O)Nc3ccc(Br)cc3)oc3ccccc3c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4567676
Phase Preclinical
Structure Type MOL
InChI Key VRIIWGBNCJHOBE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

480.3
MW (Da)
5.25
ALogP
5
HBA
1
HBD
77.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18BrNO5
MW 480.31
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.68

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