Compound Detail
CHEMBL2206334
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Basic Information
| ChEMBL ID | CHEMBL2206334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJCOVULGUXGGSU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1242950 |
| Active Moiety | CHEMBL1242950 |
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
301.5
MW (Da)
4.86
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.68
Ki 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 6.68 | 6.325 | 210.0 | 4 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.05 | 5.905 | 891.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | EC50 | = | 210.0 | nM | 6.68 | Partial agonist activity at EGFP-fused human full length M1 receptor expressed i... | 22329602 |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 450.0 | nM | 6.35 | Partial agonist activity at EGFP-fused human M1 receptor N-terminal truncated at... | 22329602 |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 720.0 | nM | 6.14 | Partial agonist activity at EGFP-fused human M1 receptor N-terminal truncated at... | 22329602 |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 740.0 | nM | 6.13 | Partial agonist activity at human full length M1 receptor expressed in HEK293 ce... | 22329602 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 891.25 | nM | 6.05 | Competitive inhibition of EGFP-fused human M1 receptor N-terminal truncated at 1... | 22329602 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 1737.8 | nM | 5.76 | Displacement of [3H]NMS from EGFP-fused human M1 receptor N-terminal truncated a... | 22329602 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22329602 | 10.1021/jm201348t | Muscarinic acetylcholine receptor M1 | 14 |
| 22329602 | 10.1021/jm201348t | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine