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Compound Detail

CHEMBL427402

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O=C1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3O)s2)S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL427402
Phase Preclinical
Structure Type MOL
InChI Key OKLCZMXICLTHGB-SDQBBNPISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
3.58
ALogP
5
HBA
2
HBD
66.4
PSA (Ų)
0.83
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 C14H8FNO3S2
MW 321.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.34

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