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Compound Detail

CHEMBL4544516

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O=C(O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C3CCNCC3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4544516
Phase Preclinical
Structure Type MOL
InChI Key TYGNPCWRPTUOPQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

468.5
MW (Da)
5.79
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23F3N2O3
MW 468.48
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
31376563 10.1016/j.ejmech.2019.111564 P2Y purinoceptor 14 2

Data from ChEMBL 36 via Core Engine