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Compound Detail

CHEMBL4297224

BLARCAMESINE
🧪 Phase III
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🧪 Phase III
CN(C)CC1CCOC1(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4297224
Name BLARCAMESINE
Phase Phase III
Structure Type MOL
InChI Key BOTHKNZTGGXFEQ-UHFFFAOYSA-N

Known Names

Anavex Anavex 2-73 Blarcamesina Blarcamesine
5
Targets
11
Activities
2
Assay Types
0
PK Parameters
11
Publications
4
Known Names

Molecular Properties

281.4
MW (Da)
3.53
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Stem -mesine
USAN Year 2018

Extended Properties

Molecular Formula C19H23NO
MW 281.40
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.16

Activity Summary

IC50 10 meas. best 6.07
Ki 1 meas. best 8.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sigma non-opioid intracellular receptor 1
CHEMBL287
 Ki 8.2 8.2 6.3 1
Sigma non-opioid intracellular receptor 1
CHEMBL287
 IC50 6.07 6.07 860.0 2
Muscarinic acetylcholine receptor M4
CHEMBL1821
 IC50 5.48 5.48 3300.0 2
Muscarinic acetylcholine receptor M2
CHEMBL211
 IC50 5.48 5.48 3300.0 2
Muscarinic acetylcholine receptor M1
CHEMBL216
 IC50 5.48 5.48 3300.0 2
Muscarinic acetylcholine receptor M3
CHEMBL245
 IC50 5.48 5.48 3300.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sigma non-opioid intracellular receptor 1 Ki = 6.3 nM 8.2 Binding affinity to sigma 1 receptor (unknown origin) assessed as inhibition con... 36716640
Sigma non-opioid intracellular receptor 1 IC50 = 860.0 nM 6.07 Binding affinity to sigma-1 receptor (unknown origin) 33111525
Sigma non-opioid intracellular receptor 1 IC50 = 860.0 nM 6.07 Binding affinity to sigma 1 receptor (unknown origin) 36202063
Muscarinic acetylcholine receptor M1 IC50 = 3300.0 nM 5.48 Binding affinity to muscarinic acetylcholine receptor M1 (unknown origin) 33111525
Muscarinic acetylcholine receptor M2 IC50 = 3300.0 nM 5.48 Binding affinity to muscarinic acetylcholine receptor M2 (unknown origin) 33111525
Muscarinic acetylcholine receptor M3 IC50 = 3300.0 nM 5.48 Binding affinity to muscarinic acetylcholine receptor M3 (unknown origin) 33111525
Muscarinic acetylcholine receptor M4 IC50 = 3300.0 nM 5.48 Binding affinity to muscarinic acetylcholine receptor M4 (unknown origin) 33111525
Muscarinic acetylcholine receptor M1 IC50 = 3300.0 nM 5.48 Binding affinity to muscarinic 1 receptor (unknown origin) 36202063
Muscarinic acetylcholine receptor M2 IC50 = 3300.0 nM 5.48 Binding affinity to muscarinic 2 receptor (unknown origin) 36202063
Muscarinic acetylcholine receptor M3 IC50 = 3300.0 nM 5.48 Binding affinity to muscarinic 3 receptor (unknown origin) 36202063
Muscarinic acetylcholine receptor M4 IC50 = 3300.0 nM 5.48 Binding affinity to muscarinic 4 receptor (unknown origin) 36202063

Literature References

PubMed DOI Target Context # Activities
33111525 10.1021/acs.jmedchem.0c01192 Sigma non-opioid intracellular receptor 1 1
33111525 10.1021/acs.jmedchem.0c01192 Muscarinic acetylcholine receptor M1 1
33111525 10.1021/acs.jmedchem.0c01192 Muscarinic acetylcholine receptor M2 1
33111525 10.1021/acs.jmedchem.0c01192 Muscarinic acetylcholine receptor M3 1
33111525 10.1021/acs.jmedchem.0c01192 Muscarinic acetylcholine receptor M4 1
36202063 10.1016/j.bmc.2022.117032 Sigma non-opioid intracellular receptor 1 1
36202063 10.1016/j.bmc.2022.117032 Muscarinic acetylcholine receptor M1 1
36202063 10.1016/j.bmc.2022.117032 Muscarinic acetylcholine receptor M2 1
36202063 10.1016/j.bmc.2022.117032 Muscarinic acetylcholine receptor M3 1
36202063 10.1016/j.bmc.2022.117032 Muscarinic acetylcholine receptor M4 1
36716640 10.1016/j.ejmech.2023.115163 Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine