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Compound Detail

CHEMBL371626

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CCCOC(=O)[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 CHEMBL371626
Phase Preclinical
Structure Type MOL
InChI Key WEDOYOMIXXXFOC-BYDLNXCSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
3.78
ALogP
8
HBA
0
HBD
109.1
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 C25H32O8
MW 460.52
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness 2.67

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