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Compound Detail

CHEMBL385525

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C/C=C/C(=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 CHEMBL385525
Phase Preclinical
Structure Type MOL
InChI Key RFMVSRWZQVBQLR-ASKCGUHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

472.5
MW (Da)
3.95
ALogP
8
HBA
0
HBD
109.1
PSA (Ų)
0.36
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 C26H32O8
MW 472.53
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness 2.70

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