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Compound Detail

CHEMBL218477

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COCCOCC(=O)OC[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL218477
Phase Preclinical
Structure Type MOL
InChI Key ZMWRJNLVIJIQHW-NASKUFFKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

520.6
MW (Da)
3.03
ALogP
10
HBA
0
HBD
127.6
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H36O10
MW 520.58
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness 2.09

Literature References

PubMed DOI Target Context # Activities
16945525 10.1016/j.bmcl.2006.08.051 Kappa-type opioid receptor 3

Data from ChEMBL 36 via Core Engine