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Compound Detail

CHEMBL264244

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CC(=O)OCC1OC(SC2C=C[C@H]3[C@H]4Cc5ccc(OC(C)=O)c6c5[C@@]3(CCN4C)[C@H]2O6)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Basic Information

ChEMBL ID CHEMBL264244
Phase Preclinical
Structure Type MOL
InChI Key XXIWLAROSAAJRD-CSUSBRIFSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

673.7
MW (Da)
2.24
ALogP
14
HBA
0
HBD
153.2
PSA (Ų)
0.17
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H39NO12S
MW 673.74
Aromatic Rings 1
Heavy Atoms 47
NP-Likeness 1.43

Activity Summary

Ki 3 meas.

Literature References

PubMed DOI Target Context # Activities
15509180 10.1021/jm049554t Unchecked 9
15509180 10.1021/jm049554t Opioid receptors; mu & delta 1
15509180 10.1021/jm049554t Opioid receptors; mu & kappa 1

Data from ChEMBL 36 via Core Engine