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Compound Detail

CHEMBL474275

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COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3cn(Cc4ccccc4)nn3)C[C@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL474275
Phase Preclinical
Structure Type MOL
InChI Key SSOSWXKDSKJGOL-YZKBGIJPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

523.6
MW (Da)
3.05
ALogP
10
HBA
0
HBD
126.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H33N3O7
MW 523.59
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness 1.38

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