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Compound Detail

CHEMBL4465857

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

Basic Information

ChEMBL ID CHEMBL4465857
Phase Preclinical
Structure Type MOL
InChI Key UCTLAJVOPFKJCO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

517.5
MW (Da)
4.20
ALogP
9
HBA
1
HBD
128.6
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18F3N7O3S
MW 517.49
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.07

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