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Compound Detail

CHEMBL475987

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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(C)nn3)C[C@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL475987
Phase Preclinical
Structure Type MOL
InChI Key VFXYGRWDLAQGRF-JQFXXIQLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
1.54
ALogP
10
HBA
0
HBD
126.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N3O7
MW 447.49
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 1.94

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