Compound Detail
CHEMBL239038
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Basic Information
| ChEMBL ID | CHEMBL239038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMOWQFSYVPAWFE-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1182448 |
| Active Moiety | CHEMBL1182448 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
2.96
ALogP
3
HBA
0
HBD
35.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 5.84 | 5.84 | 1448.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 5.74 | 5.74 | 1836.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.47 | 5.47 | 3376.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 5.22 | 5.22 | 5986.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 1448.0 | nM | 5.84 | Displacement of [3H]QNB from human muscarinic M3 receptor expressed in CHO cells | 17889543 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 1836.0 | nM | 5.74 | Displacement of [3H]QNB from human muscarinic M5 receptor expressed in CHO cells | 17889543 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 3376.0 | nM | 5.47 | Displacement of [3H]QNB from human muscarinic M1 receptor expressed in CHO cells | 17889543 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 5986.0 | nM | 5.22 | Displacement of [3H]QNB from human muscarinic M4 receptor expressed in CHO cells | 17889543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17889543 | 10.1016/j.bmc.2007.09.003 | Unchecked | 4 |
| 17889543 | 10.1016/j.bmc.2007.09.003 | Muscarinic acetylcholine receptor M3 | 3 |
| 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 M4 | 1 |
| 17889543 | 10.1016/j.bmc.2007.09.003 | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine