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Compound Detail

CHEMBL514358

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CCn1cc([C@@H]2C[C@]3(C)[C@H]4C(=O)[C@@H](OC(C)=O)C[C@@H](C(=O)OC)[C@]4(C)CC[C@H]3C(=O)O2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL514358
Phase Preclinical
Structure Type MOL
InChI Key WPEQHEAWQYBXFD-GRTRAUACSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
2.02
ALogP
10
HBA
0
HBD
126.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H31N3O7
MW 461.52
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness 1.81

Literature References

PubMed DOI Target Context # Activities
19211245 10.1016/j.bmcl.2009.01.078 Mu-type opioid receptor 1
19211245 10.1016/j.bmcl.2009.01.078 Delta-type opioid receptor 1
19211245 10.1016/j.bmcl.2009.01.078 Kappa-type opioid receptor 1

Data from ChEMBL 36 via Core Engine