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Compound Detail

CHEMBL5418523

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COc1ncc(-c2ccc3ncc(-c4cn(CCCN5CCOCC5)nn4)n3n2)cc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5418523
Phase Preclinical
Structure Type MOL
InChI Key KGQYKBJLFBHMHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
1.36
ALogP
11
HBA
1
HBD
121.5
PSA (Ų)
0.46
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N9O2
MW 435.49
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -2.02

Literature References

PubMed DOI Target Context # Activities
36586298 10.1016/j.ejmech.2022.115030 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
36586298 10.1016/j.ejmech.2022.115030 HT-29 1

Data from ChEMBL 36 via Core Engine