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Compound Detail

CHEMBL4555870

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COc1ncc(-c2ccn3c(-c4nnc(CCN5CCN(C)CC5)o4)cnc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4555870
Phase Preclinical
Structure Type MOL
InChI Key KAXMTNFUCLRSGS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

610.6
MW (Da)
3.32
ALogP
11
HBA
1
HBD
131.0
PSA (Ų)
0.27
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28F2N8O4S
MW 610.65
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness -2.05

Literature References

PubMed DOI Target Context # Activities
32069401 10.1021/acs.jmedchem.9b01736 PI3-kinase p110-alpha/p85-alpha 1
32069401 10.1021/acs.jmedchem.9b01736 HCT-116 1

Data from ChEMBL 36 via Core Engine