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Compound Detail

CHEMBL434723

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COc1ccc2c3c1O[C@H]1C(SC4OC(CO)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314

Basic Information

ChEMBL ID CHEMBL434723
Phase Preclinical
Structure Type MOL
InChI Key IGMWBPXTFMABIW-UCFQLCGUSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

603.7
MW (Da)
1.75
ALogP
12
HBA
1
HBD
130.1
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H37NO10S
MW 603.69
Aromatic Rings 1
Heavy Atoms 42
NP-Likeness 1.56

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