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Compound Detail

CHEMBL560452

N-METHYL-ALOISINE A
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CCCCc1c(-c2ccc(O)cc2)n(C)c2nccnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL560452
Name N-METHYL-ALOISINE A
Phase Preclinical
Structure Type MOL
InChI Key FWKQRXNJOJJWHB-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

281.4
MW (Da)
3.68
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.79
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 C17H19N3O
MW 281.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.17

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
19596197 10.1016/j.bmc.2009.06.024 Unchecked 2
19596197 10.1016/j.bmc.2009.06.024 Cyclin-dependent kinase 1 2
19596197 10.1016/j.bmc.2009.06.024 Cyclin-dependent kinase 5/CDK5 activator 1 1
19596197 10.1016/j.bmc.2009.06.024 Glycogen synthase kinase-3 1
19596197 10.1016/j.bmc.2009.06.024 Cyclin-dependent protein kinase PHO85 1

Data from ChEMBL 36 via Core Engine