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Compound Detail

CHEMBL5892025

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CN(C)[C@H](CNC(=O)CCCc1ccccc1)Cc1ccc(O)cc1

Basic Information

ChEMBL ID CHEMBL5892025
Phase Preclinical
Structure Type MOL
InChI Key UOZVXLPORSHJAB-IBGZPJMESA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

340.5
MW (Da)
3.00
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N2O2
MW 340.47
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.50

Activity Summary

Ki 3 meas. best 7.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mu-type opioid receptor
CHEMBL233
Ki 7.14 7.14 72.0 1
Kappa-type opioid receptor
CHEMBL237
Ki 7.0 7.0 100.0 1
Delta-type opioid receptor
CHEMBL236
Ki 6.43 6.43 370.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine