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Compound Detail

CHEMBL564656

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CCCCc1c(-c2ccc(O)c(-c3cn(CCOCCOCCN)nn3)c2)n(C)c2nccnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL564656
Phase Preclinical
Structure Type MOL
InChI Key LYHRQBXXFURIAR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

479.6
MW (Da)
2.93
ALogP
10
HBA
2
HBD
126.1
PSA (Ų)
0.28
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H33N7O3
MW 479.59
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
19596197 10.1016/j.bmc.2009.06.024 Unchecked 1
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

Data from ChEMBL 36 via Core Engine