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Compound Detail

CHEMBL374704

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CC(=O)O[C@H]1C[C@@H](COC(=O)Cc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL374704
Phase Preclinical
Structure Type MOL
InChI Key CZMPEUNASXGPIM-MZVJIUFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

522.6
MW (Da)
4.61
ALogP
8
HBA
0
HBD
109.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H34O8
MW 522.59
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness 2.12

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