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Compound Detail

CHEMBL4451394

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Cc1cccc(-c2nc(NC(=O)C3CCC3)cc3c2CCCN3)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4451394
Phase Preclinical
Structure Type MOL
InChI Key MKAONUIWRXVYBN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
4.46
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N3O
MW 335.45
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
32184970 10.1021/acsmedchemlett.9b00420 Oxidized purine nucleoside triphosphate hydrolase 1

Data from ChEMBL 36 via Core Engine