Compound Detail
CHEMBL168561
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Basic Information
| ChEMBL ID | CHEMBL168561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJBPIKGEGWKHQY-BUHFOSPRSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
216.3
MW (Da)
1.11
ALogP
3
HBA
0
HBD
24.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.41
EC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| Muscarinic receptor M1 and M2 CHEMBL2111433 | IC50 | 5.54 | 5.54 | 2914.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 5.3 | 5.3 | 5050.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 5.29 | 5.29 | 5080.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 5.25 | 5.25 | 5680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 39.0 | nM | 7.41 | Compound was evaluated for inhibition of [3H]cis-methyldioxolane binding to labe... | - |
| Muscarinic receptor M1 and M2 | IC50 | = | 2914.0 | nM | 5.54 | Compound was evaluated for its inhibition of [3H]quinuclidinyl benzilate binding... | - |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 5050.0 | nM | 5.3 | Effective concentration for HMPA (human muscarinic inositol phosphate accumulati... | - |
| Muscarinic acetylcholine receptor M2 | IC50 | = | 5080.0 | nM | 5.29 | Inhibitory activity against human Muscarinic acetylcholine receptor M2 using [3H... | - |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 5680.0 | nM | 5.25 | Inhibitory activity against human Muscarinic acetylcholine receptor M1 using [3H... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80538-7 | Muscarinic acetylcholine receptor M1 | 3 |
| - | 10.1016/S0960-894X(00)80538-7 | Muscarinic acetylcholine receptor M3 | 2 |
| - | 10.1016/S0960-894X(00)80538-7 | Muscarinic acetylcholine receptors; M1 & M2 | 2 |
| - | 10.1016/S0960-894X(00)80538-7 | Muscarinic acetylcholine receptor | 1 |
| - | 10.1016/S0960-894X(00)80538-7 | Muscarinic receptor M1 and M2 | 1 |
| - | 10.1016/S0960-894X(00)80538-7 | Muscarinic acetylcholine receptor M2 | 1 |
Data from ChEMBL 36 via Core Engine