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Compound Detail

CHEMBL428431

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CC(C)c1cc(Oc2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)n(-c2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL428431
Phase Preclinical
Structure Type MOL
InChI Key FECWLONQLNLRBM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

496.5
MW (Da)
7.33
ALogP
5
HBA
2
HBD
77.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23F3N4O3
MW 496.49
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
18445527 10.1016/j.bmcl.2008.04.028 P2Y purinoceptor 1 1

Data from ChEMBL 36 via Core Engine