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Compound Detail

CHEMBL254391

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CC(=O)OCC(C)(C)n1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CCC3[C@]3(C[C@@H]6/C=C\CCCCN6[C@H]34)C5)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL254391
Phase Preclinical
Structure Type MOL
InChI Key ZLWVVMJBQYSYBP-IZNIYGOISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

662.9
MW (Da)
7.63
ALogP
7
HBA
1
HBD
70.8
PSA (Ų)
0.23
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H54N4O3
MW 662.92
Aromatic Rings 3
Heavy Atoms 49
NP-Likeness 1.85

Literature References

PubMed DOI Target Context # Activities
17708655 10.1021/np060092r Glycogen synthase kinase-3 beta 2

Data from ChEMBL 36 via Core Engine