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Compound Detail

CHEMBL5763340

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Cc1ccc([C@H](C)NC(=O)NC[C@H](Cc2ccc(O)cc2)N(C)C)cc1

Basic Information

ChEMBL ID CHEMBL5763340
Phase Preclinical
Structure Type MOL
InChI Key AIKFZMHAROLPPI-LPHOPBHVSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.5
MW (Da)
3.23
ALogP
3
HBA
3
HBD
64.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29N3O2
MW 355.48
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.09

Activity Summary

Ki 3 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mu-type opioid receptor
CHEMBL233
Ki 6.82 6.82 150.0 1
Kappa-type opioid receptor
CHEMBL237
Ki 6.75 6.75 180.0 1
Delta-type opioid receptor
CHEMBL236
Ki 6.16 6.16 700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine