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Compound Detail

CHEMBL208697

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COc1cc(F)ccc1-c1ccc(/C=C2\SC(=O)NC2=O)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL208697
Phase Preclinical
Structure Type MOL
InChI Key RYABMEHGNFHUDW-QPEQYQDCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

319.3
MW (Da)
3.42
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10FNO4S
MW 319.31
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
16789742 10.1021/jm0601598 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
16789742 10.1021/jm0601598 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1

Data from ChEMBL 36 via Core Engine