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Compound Detail

CHEMBL45686

PANAMESINE
🧪 Phase II
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🧪 Phase II
COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc5c(c4)OCO5)CC3)OC2=O)cc1

Basic Information

ChEMBL ID CHEMBL45686
Name PANAMESINE
Phase Phase II
Structure Type MOL
InChI Key NINYZUDVKTUKIA-IBGZPJMESA-N

Known Names

Panamesine
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
1
Known Names

Molecular Properties

426.5
MW (Da)
2.73
ALogP
7
HBA
1
HBD
80.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -mesine

Extended Properties

Molecular Formula C23H26N2O6
MW 426.47
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.47

Activity Summary

Ki 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sigma non-opioid intracellular receptor 1
CHEMBL287
Ki 7.72 7.72 19.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80443-1 Sigma non-opioid intracellular receptor 1 1
- 10.6019/CHEMBL5441142 Schistosoma mansoni 1

Data from ChEMBL 36 via Core Engine