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Compound Detail

CHEMBL5092009

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c1ccc([C@]2(CCNCc3ccc4ccccc4c3)CCOC3(CCOC3)C2)nc1

Basic Information

ChEMBL ID CHEMBL5092009
Phase Preclinical
Structure Type MOL
InChI Key ARBKLHQHKKFTLB-DCWQJPKNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
4.62
ALogP
4
HBA
1
HBD
43.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N2O2
MW 402.54
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.27

Activity Summary

EC50 1 meas. best 6.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mu-type opioid receptor
CHEMBL233
EC50 6.76 6.76 174.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34802839 10.1016/j.ejmech.2021.113986 Mu-type opioid receptor 4

Data from ChEMBL 36 via Core Engine