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Compound Detail

CHEMBL5075572

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

Basic Information

ChEMBL ID CHEMBL5075572
Phase Preclinical
Structure Type MOL
InChI Key GULORFZLOFLDRY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

422.6
MW (Da)
4.32
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H34N2O3
MW 422.57
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.81

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