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Compound Detail

CHEMBL391628

ACUTUMINE
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COC1=CC(=O)[C@@]2([C@@H]1O)[C@@H](Cl)C[C@@]13C(OC)=C(OC)C(=O)C[C@@]21CCN3C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL391628
Name ACUTUMINE
Phase Preclinical
Structure Type MOL
InChI Key FSXRARBVZZKCGJ-FMAJMWNWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

397.9
MW (Da)
1.00
ALogP
7
HBA
1
HBD
85.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H24ClNO6
MW 397.86
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 3.04

Literature References

PubMed DOI Target Context # Activities
17723297 10.1016/j.bmcl.2007.08.027 Hepatitis B virus 2
17723297 10.1016/j.bmcl.2007.08.027 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine