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Compound Detail

CHEMBL4086642

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COc1ccc(-c2ccc3ncnc(Nc4ccc(C(=O)N5CCOCC5)cc4)c3c2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4086642
Phase Preclinical
Structure Type MOL
InChI Key AYJPGHOCGLJMLV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
3.92
ALogP
7
HBA
1
HBD
89.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N5O3
MW 441.49
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
28325601 10.1016/j.bmcl.2017.03.020 PI3-kinase p110-delta/p85-alpha 2

Data from ChEMBL 36 via Core Engine