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Compound Detail

CHEMBL4444852

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CCC(Nc1ncnc2[nH]cnc12)C1=Nc2ccccc2S(=O)(=O)N1c1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4444852
Phase Preclinical
Structure Type MOL
InChI Key ZBCSFZVTLWWBED-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

501.5
MW (Da)
4.50
ALogP
7
HBA
2
HBD
116.2
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 C22H18F3N7O2S
MW 501.49
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.33

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