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Compound Detail

CHEMBL478139

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COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@]3(C)C[C@@H](c4c[nH]nn4)OC(=O)[C@H]3CC[C@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL478139
Phase Preclinical
Structure Type MOL
InChI Key WEHYIFKRVMCWNG-MPZWKKTFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
1.53
ALogP
9
HBA
1
HBD
137.5
PSA (Ų)
0.56
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 C21H27N3O7
MW 433.46
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 2.20

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