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Compound Detail

CHEMBL4866371

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

Basic Information

ChEMBL ID CHEMBL4866371
Phase Preclinical
Structure Type MOL
InChI Key YKJCXFQLAGEPJU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.1
MW (Da)
3.08
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H6F3IO3
MW 370.06
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.01

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