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Compound Detail

CHEMBL5191376

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CCCn1nc(-c2cnc(N)nc2)cc(N2CCOCC2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5191376
Phase Preclinical
Structure Type MOL
InChI Key WHNDPXQTTJKAKR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
0.53
ALogP
8
HBA
1
HBD
99.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N6O2
MW 316.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
36272186 10.1016/j.bmc.2022.117067 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 2

Data from ChEMBL 36 via Core Engine