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Compound Detail

CHEMBL5414844

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CCC(=O)N(CC(CC)N1CCC(c2ccccc2)CC1)c1ccc(C)cn1

Basic Information

ChEMBL ID CHEMBL5414844
Phase Preclinical
Structure Type MOL
InChI Key UZRVEXMBAOWWND-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

379.6
MW (Da)
4.79
ALogP
3
HBA
0
HBD
36.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H33N3O
MW 379.55
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.42

Activity Summary

EC50 1 meas. best 6.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mu-type opioid receptor
CHEMBL233
EC50 6.34 6.34 453.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38015878 10.1021/acs.jmedchem.3c01637 Mu-type opioid receptor 1
38015878 10.1021/acs.jmedchem.3c01637 Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine