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Compound Detail

CHEMBL5208928

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O=C(Nc1cc(C(=O)O)nn1Cc1ccc(F)cc1)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5208928
Phase Preclinical
Structure Type MOL
InChI Key PDBNXFMLHFVUHI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.3
MW (Da)
3.16
ALogP
4
HBA
2
HBD
84.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13F2N3O3
MW 357.32
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.74

Literature References

PubMed DOI Target Context # Activities
36394994 10.1021/acs.jmedchem.2c01632 P2Y purinoceptor 14 2

Data from ChEMBL 36 via Core Engine