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Compound Detail

CHEMBL4572206

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CCC(C1=Nc2ccccc2S(=O)(=O)N1c1ccc(F)cc1)n1cnc2c(N)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4572206
Phase Preclinical
Structure Type MOL
InChI Key SMKQEYQYYIACKV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
3.44
ALogP
8
HBA
1
HBD
119.4
PSA (Ų)
0.51
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 C21H18FN7O2S
MW 451.49
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
30878826 10.1016/j.ejmech.2019.03.005 PI3-kinase p110-delta/p85-alpha 1

Data from ChEMBL 36 via Core Engine