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Compound Detail

CHEMBL4239308

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Cc1ccccc1-n1c(Cn2nc(-c3cccc(OC(F)(F)F)c3)c3c(N)ncnc32)nc2cccc(F)c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4239308
Phase Preclinical
Structure Type MOL
InChI Key HPUXVKKPIUODAR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

561.5
MW (Da)
5.17
ALogP
9
HBA
1
HBD
113.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H19F4N7O2
MW 561.50
Aromatic Rings 6
Heavy Atoms 41
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
29601991 10.1016/j.ejmech.2018.03.068 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 2

Data from ChEMBL 36 via Core Engine