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Compound Detail

CHEMBL123502

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C[C@@H](Nc1nc(N)nc(N2CCCCC2)n1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL123502
Phase Preclinical
Structure Type MOL
InChI Key VVCZWONMBSHPOA-GFCCVEGCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
2.62
ALogP
6
HBA
2
HBD
80.0
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22N6
MW 298.39
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.45

Literature References

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

Data from ChEMBL 36 via Core Engine