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Compound Detail

CHEMBL1093838

8-HYDROXYIRCINIALACTAM A
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CC1=C(O)/C(=C/[C@@H](C)CCC/C(C)=C/CCC(C)(O)CCCC2=CCN(CC(=O)O)C2=O)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1093838
Name 8-HYDROXYIRCINIALACTAM A
Phase Preclinical
Structure Type MOL
InChI Key WYYBBHDVIXUYQA-XYFXRZADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

489.6
MW (Da)
4.57
ALogP
6
HBA
3
HBD
124.4
PSA (Ų)
0.24
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H39NO7
MW 489.61
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 2.45

Literature References

PubMed DOI Target Context # Activities
20346682 10.1016/j.bmc.2010.03.002 Glycine receptor subunit alpha-1 3
20346682 10.1016/j.bmc.2010.03.002 Glycine receptor subunit alpha-3 2

Data from ChEMBL 36 via Core Engine