Compound Detail
CHEMBL3616504
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Basic Information
| ChEMBL ID | CHEMBL3616504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBFLRMQXLNKWDG-XUQUBCKISA-N |
3
Targets
3
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
442.4
MW (Da)
3.98
ALogP
3
HBA
2
HBD
64.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | EC50 | 7.62 | 7.62 | 24.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 7.1 | 7.1 | 80.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | EC50 | 6.95 | 6.95 | 113.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 506.0 | ng.hr/g | Rattus norvegicus |
| F | 68.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | EC50 | = | 24.0 | nM | 7.62 | Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30... | 26299349 |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 80.0 | nM | 7.1 | Agonist activity at human muscarinic M1 receptor expressed in CHO cells after 30... | 26299349 |
| Muscarinic acetylcholine receptor M4 | EC50 | = | 113.0 | nM | 6.95 | Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30... | 26299349 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26299349 | 10.1016/j.bmcl.2015.08.011 | Rattus norvegicus | 3 |
| 26299349 | 10.1016/j.bmcl.2015.08.011 | Muscarinic acetylcholine receptor M1 | 2 |
| 26299349 | 10.1016/j.bmcl.2015.08.011 | Muscarinic acetylcholine receptor M2 | 2 |
| 26299349 | 10.1016/j.bmcl.2015.08.011 | Muscarinic acetylcholine receptor M4 | 2 |
| 26299349 | 10.1016/j.bmcl.2015.08.011 | No relevant target | 2 |
| 26299349 | 10.1016/j.bmcl.2015.08.011 | Plasma | 1 |
| 26299349 | 10.1016/j.bmcl.2015.08.011 | Brain | 1 |
Data from ChEMBL 36 via Core Engine