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Compound Detail

CHEMBL3109120

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Oc1cccc(-c2nc(N3CCC(F)(F)CC3)c3ncccc3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3109120
Phase Preclinical
Structure Type MOL
InChI Key NPBGCHVKHZYPBC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
3.63
ALogP
5
HBA
1
HBD
62.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16F2N4O
MW 342.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
24345273 10.1021/jm401138v Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1
24345273 10.1021/jm401138v Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1
24345273 10.1021/jm401138v Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1

Data from ChEMBL 36 via Core Engine