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Compound Detail

CHEMBL3275459

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C=CC(C)(C)N1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3275459
Phase Preclinical
Structure Type MOL
InChI Key IFBGAXGWARFTOB-AYHJQLAQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
2.53
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25NO3
MW 339.44
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 2.23

Literature References

PubMed DOI Target Context # Activities
207868 10.1021/jm00203a002 Opioid receptor 2
207868 10.1021/jm00203a002 Mus musculus 2

Data from ChEMBL 36 via Core Engine