Compound Detail
CHEMBL21509
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Basic Information
| ChEMBL ID | CHEMBL21509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVOLYPPAXQIHQQ-JQIJEIRASA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
276.4
MW (Da)
3.97
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.02 | 5.02 | 9549.9 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 4.92 | 4.92 | 12022.6 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 4.9 | 4.9 | 12589.2 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 4.72 | 4.72 | 19054.6 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 4.67 | 4.67 | 21379.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 9549.93 | nM | 5.02 | Affinity for Muscarinic acetylcholine receptor M1 expressed in CHO cells by [3H]... | 11354386 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 12022.64 | nM | 4.92 | Affinity for Muscarinic acetylcholine receptor M4 expressed in CHO cells by [3H]... | 11354386 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 12589.25 | nM | 4.9 | Affinity for Muscarinic acetylcholine receptor M2 expressed in CHO cells by [3H]... | 11354386 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 19054.61 | nM | 4.72 | Affinity for Muscarinic acetylcholine receptor M5 expressed in CHO cells by [3H]... | 11354386 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 21379.62 | nM | 4.67 | Affinity for Muscarinic acetylcholine receptor M3 expressed in CHO cells by [3H]... | 11354386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11354386 | 10.1016/s0960-894x(01)00186-x | Muscarinic acetylcholine receptor M1 | 1 |
| 11354386 | 10.1016/s0960-894x(01)00186-x | Muscarinic acetylcholine receptor M2 | 1 |
| 11354386 | 10.1016/s0960-894x(01)00186-x | Muscarinic acetylcholine receptor M3 | 1 |
| 11354386 | 10.1016/s0960-894x(01)00186-x | Muscarinic acetylcholine receptor M4 | 1 |
| 11354386 | 10.1016/s0960-894x(01)00186-x | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine