Compound Detail
CHEMBL1564753
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Basic Information
| ChEMBL ID | CHEMBL1564753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPBRFRSODHILCO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
443.9
MW (Da)
4.05
ALogP
6
HBA
1
HBD
94.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | EC50 | 5.04 | 5.025 | 9127.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.38 | 4.26 | 41261.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | EC50 | = | 9127.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Discovery of novel allosteric modulators of the M1 muscarinic ... | - |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 9710.0 | nM | 5.01 | Allosteric modulation at rat M1 receptor expressed in CHO cells by calcium mobil... | 21194936 |
| Unchecked | EC50 | = | 41261.0 | nM | 4.38 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 72808.0 | nM | 4.14 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21194936 | 10.1016/j.bmcl.2010.12.015 | Muscarinic acetylcholine receptor M1 | 2 |
| 21194936 | 10.1016/j.bmcl.2010.12.015 | Muscarinic acetylcholine receptor M2 | 1 |
| 21194936 | 10.1016/j.bmcl.2010.12.015 | Muscarinic acetylcholine receptor M3 | 1 |
| 21194936 | 10.1016/j.bmcl.2010.12.015 | Muscarinic acetylcholine receptor M4 | 1 |
| 21194936 | 10.1016/j.bmcl.2010.12.015 | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine