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Compound Detail

CHEMBL5077650

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CCC(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)C1CCCc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5077650
Phase Preclinical
Structure Type MOL
InChI Key MGHBYUKXIIKUOR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.6
MW (Da)
5.65
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.58
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H38N2O
MW 418.63
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
34628236 10.1016/j.ejmech.2021.113879 Mu-type opioid receptor 1

Data from ChEMBL 36 via Core Engine