Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5434293

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C[C@@H](CC(=O)NC[C@H](Cc1c(F)cc(O)cc1F)N(C)C)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5434293
Phase Preclinical
Structure Type MOL
InChI Key AHEXTVMYVWYFRM-HOCLYGCPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
3.45
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26F2N2O2
MW 376.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.72

Activity Summary

EC50 1 meas. best 7.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mu-type opioid receptor
CHEMBL233
 EC50 7.84 7.84 14.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mu-type opioid receptor EC50 = 14.5 nM 7.84 Agonist activity at human mu opioid receptor stably transfected in CHO cells by ... 37414346

Literature References

PubMed DOI Target Context # Activities
37414346 10.1016/j.bmcl.2023.129405 ADMET 3
37414346 10.1016/j.bmcl.2023.129405 Mu-type opioid receptor 2

Data from ChEMBL 36 via Core Engine