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Compound Detail

CHEMBL402273

9-N-ISOBUTYL-8-ISOBUTYLOXY-MANZAMINE A
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CC(C)COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCCN6CCC4[C@]4(C[C@@H]7/C=C\CCCCN7[C@H]45)C6)c3n(CC(C)C)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL402273
Name 9-N-ISOBUTYL-8-ISOBUTYLOXY-MANZAMINE A
Phase Preclinical
Structure Type MOL
InChI Key ARTZKRLNCMHAJE-ZQBXSWGPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

677.0
MW (Da)
9.02
ALogP
6
HBA
1
HBD
53.8
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H60N4O2
MW 676.99
Aromatic Rings 3
Heavy Atoms 50
NP-Likeness 1.52

Literature References

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

Data from ChEMBL 36 via Core Engine