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Compound Detail

CHEMBL4583488

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Cc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)Nc2ccc3c(c2)COC3=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4583488
Phase Preclinical
Structure Type MOL
InChI Key ZTMNGEZVTYSGMJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

441.4
MW (Da)
4.46
ALogP
6
HBA
1
HBD
94.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H19NO6
MW 441.44
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.48

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