Compound Detail
CHEMBL1300017
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Basic Information
| ChEMBL ID | CHEMBL1300017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLDCDVFJMSTHDM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
3.54
ALogP
6
HBA
1
HBD
94.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | EC50 | 5.28 | 5.275 | 5220.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | EC50 | = | 5220.0 | nM | 5.28 | Allosteric modulation at rat M1 receptor expressed in CHO cells by calcium mobil... | 21194936 |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 5324.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Discovery of novel allosteric modulators of the M1 muscarinic ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21194936 | 10.1016/j.bmcl.2010.12.015 | Muscarinic acetylcholine receptor M1 | 2 |
Data from ChEMBL 36 via Core Engine