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Compound Detail

CHEMBL4077058

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COc1ccc(-c2ccc3ncnc(Nc4cccc(C(=O)N5CCN(C)CC5)c4)c3c2)cc1C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4077058
Phase Preclinical
Structure Type MOL
InChI Key JTFMGTUUHUZTMX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
3.54
ALogP
7
HBA
2
HBD
113.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28N6O3
MW 496.57
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.24

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