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Compound Detail

CHEMBL365814

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C#CCCCOC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL365814
Phase Preclinical
Structure Type MOL
InChI Key LICPHDKHCZLRDM-QTEOLWBNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

484.6
MW (Da)
3.78
ALogP
8
HBA
0
HBD
109.1
PSA (Ų)
0.26
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32O8
MW 484.55
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness 2.55

Literature References

PubMed DOI Target Context # Activities
16051487 10.1016/j.bmcl.2005.06.092 Kappa-type opioid receptor 1

Data from ChEMBL 36 via Core Engine