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Compound Detail

CHEMBL124520

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c1ccc2c(c1)CC(Nc1ncnc(N3CCCCC3)n1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL124520
Phase Preclinical
Structure Type MOL
InChI Key ZAEGVSHACLZFMO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
2.44
ALogP
5
HBA
1
HBD
53.9
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N5
MW 295.39
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
10508434 10.1021/jm990293a rRNA adenine N-6-methyltransferase 2

Data from ChEMBL 36 via Core Engine