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Compound Detail

CHEMBL5075068

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CCOC(=O)C(=O)N(CC(C)N1CCC(Cc2ccccc2)CC1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5075068
Phase Preclinical
Structure Type MOL
InChI Key RLHJUTOAVCLNIR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
3.93
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32N2O3
MW 408.54
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.88

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