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Compound Detail

CHEMBL4469444

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CS(=O)(=O)c1cnc(N)nc1N1CC[C@H]1c1nn2ccc(Cl)c2c(=O)n1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4469444
Phase Preclinical
Structure Type MOL
InChI Key GFYRBROPIXWSFE-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

471.9
MW (Da)
1.87
ALogP
10
HBA
1
HBD
128.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18ClN7O3S
MW 471.93
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
31033293 10.1021/acs.jmedchem.8b02014 PI3K p110 beta/p85 alpha 1
31033293 10.1021/acs.jmedchem.8b02014 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1
31033293 10.1021/acs.jmedchem.8b02014 PI3-kinase p110-delta/p85-alpha 1

Data from ChEMBL 36 via Core Engine