Compound Detail
CHEMBL396845
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Basic Information
| ChEMBL ID | CHEMBL396845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWMOCQPZPIJACF-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1185188 |
| Active Moiety | CHEMBL1185188 |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
1.94
ALogP
3
HBA
0
HBD
30.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.32 | 6.32 | 474.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 6.05 | 6.05 | 887.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 5.64 | 5.64 | 2265.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 5.25 | 5.25 | 5664.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.16 | 5.16 | 6958.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 474.0 | nM | 6.32 | Displacement of [3H]QNB from human muscarinic M2 receptor expressed in CHO cells | 17889543 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 887.0 | nM | 6.05 | Displacement of [3H]QNB from human muscarinic M3 receptor expressed in CHO cells | 17889543 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 2265.0 | nM | 5.64 | Displacement of [3H]QNB from human muscarinic M4 receptor expressed in CHO cells | 17889543 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 5664.0 | nM | 5.25 | Displacement of [3H]QNB from human muscarinic M5 receptor expressed in CHO cells | 17889543 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 6958.0 | nM | 5.16 | Displacement of [3H]QNB from human muscarinic M1 receptor expressed in CHO cells | 17889543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17889543 | 10.1016/j.bmc.2007.09.003 | Muscarinic acetylcholine receptor M1 | 1 |
| 17889543 | 10.1016/j.bmc.2007.09.003 | Muscarinic acetylcholine receptor M2 | 1 |
| 17889543 | 10.1016/j.bmc.2007.09.003 | Muscarinic acetylcholine receptor M3 | 1 |
| 17889543 | 10.1016/j.bmc.2007.09.003 | Muscarinic acetylcholine receptor M4 | 1 |
| 17889543 | 10.1016/j.bmc.2007.09.003 | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine