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Compound Detail

CHEMBL4875249

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CCOC(=O)C1=Cc2cc(I)ccc2OC1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4875249
Phase Preclinical
Structure Type MOL
InChI Key KIADFFIAQBSTBM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.1
MW (Da)
3.56
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10F3IO3
MW 398.12
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
33831560 10.1016/j.bmcl.2021.128008 P2Y purinoceptor 6 1

Data from ChEMBL 36 via Core Engine