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Compound Detail

CHEMBL230778

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c1ccc(-c2nc(N3CCOCC3)c3sc4ccccc4c3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL230778
Phase Preclinical
Structure Type MOL
InChI Key UYCZQGASZWBHHA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
4.35
ALogP
5
HBA
0
HBD
38.2
PSA (Ų)
0.54
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 C20H17N3OS
MW 347.44
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.82

Literature References

PubMed DOI Target Context # Activities
17339109 10.1016/j.bmcl.2007.02.032 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1

Data from ChEMBL 36 via Core Engine