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Compound Detail

CHEMBL212704

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CNC[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2C3(C)C[C@@H](c4ccoc4)OC[C@@H]3C(=O)C[C@@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL212704
Phase Preclinical
Structure Type MOL
InChI Key ATCVFCAYHXMHAD-CNZLOUGJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
2.70
ALogP
7
HBA
1
HBD
94.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H31NO6
MW 417.50
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 2.37

Literature References

PubMed DOI Target Context # Activities
16777411 10.1016/j.bmcl.2006.05.093 Kappa-type opioid receptor 3

Data from ChEMBL 36 via Core Engine