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Compound Detail

CHEMBL127729

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Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL127729
Phase Preclinical
Structure Type MOL
InChI Key ASSKKCTXCCCXLQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

262.4
MW (Da)
1.43
ALogP
6
HBA
1
HBD
71.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H22N6
MW 262.36
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.93

Literature References

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

Data from ChEMBL 36 via Core Engine