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Compound Detail

CHEMBL438803

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CC(=O)O[C@H]1C[C@@H](C(=O)NC(CO)C(=O)OCc2ccccc2)[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 CHEMBL438803
Phase Preclinical
Structure Type MOL
InChI Key SJOYYCQMZYRYCS-IYSZHDMTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

595.6
MW (Da)
3.05
ALogP
10
HBA
2
HBD
158.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H37NO10
MW 595.65
Aromatic Rings 2
Heavy Atoms 43
NP-Likeness 1.96

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