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Compound Detail

CHEMBL124981

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Nc1nc(NC2CCc3ccccc32)nc(N2CCCCC2)n1

Basic Information

ChEMBL ID CHEMBL124981
Phase Preclinical
Structure Type MOL
InChI Key PLNVWRIZQLUUQA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
2.54
ALogP
6
HBA
2
HBD
80.0
PSA (Ų)
0.91
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 C17H22N6
MW 310.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.17

Activity Summary

Ki 1 meas. best 4.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
rRNA adenine N-6-methyltransferase
CHEMBL2757
Ki 4.12 4.12 75000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
rRNA adenine N-6-methyltransferase Ki = 75000.0 nM 4.12 Inhibitory activity against ErmAM methylase 10508434

Literature References

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

Data from ChEMBL 36 via Core Engine