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Compound Detail

CHEMBL5400451

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CCCCOc1nc(N)nc2cnn(Cc3ccc(CNC4CCOCC4)cc3OC)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5400451
Phase Preclinical
Structure Type MOL
InChI Key AYCHXJNUZUBUCI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
2.91
ALogP
9
HBA
2
HBD
109.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32N6O3
MW 440.55
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
38352830 10.1021/acsmedchemlett.3c00455 Toll-like receptor 7 2
38352830 10.1021/acsmedchemlett.3c00455 T-cell 1

Data from ChEMBL 36 via Core Engine