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Compound Detail

CHEMBL280688

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CN1CCC23CCCCC2C1Cc1ccc(OC(C)(C)C)cc13
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL280688
Phase Preclinical
Structure Type MOL
InChI Key HWTLPRHSBYNYIX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

313.5
MW (Da)
4.55
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H31NO
MW 313.49
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.91

Literature References

PubMed DOI Target Context # Activities
6292420 10.1021/jm00352a037 Mus musculus 2
6292420 10.1021/jm00352a037 Opioid receptor 1

Data from ChEMBL 36 via Core Engine