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Compound Detail

CHEMBL449881

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CNCC1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL449881
Phase Preclinical
Structure Type MOL
InChI Key LXIRROSSXMWVCX-KBAYOESNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
-0.47
ALogP
7
HBA
3
HBD
114.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N2O6
MW 360.37
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 1.46

Literature References

PubMed DOI Target Context # Activities
19179074 10.1016/j.bmcl.2009.01.029 Unchecked 1

Data from ChEMBL 36 via Core Engine